Structure Refinement: Co2SiO4, D20¶

This example demonstrates a Rietveld refinement of Co2SiO4 crystal structure using constant wavelength neutron powder diffraction data from D20 at ILL.

Import Library¶

In [2]:

from easydiffraction import ExperimentFactory
from easydiffraction import Project
from easydiffraction import StructureFactory
from easydiffraction import download_data

from easydiffraction import ExperimentFactory from easydiffraction import Project from easydiffraction import StructureFactory from easydiffraction import download_data

Define Structure¶

This section shows how to add structures and modify their parameters.

Create Structure¶

In [3]:

structure = StructureFactory.from_scratch(name='cosio')

structure = StructureFactory.from_scratch(name='cosio')

Set Space Group¶

In [4]:

structure.space_group.name_h_m = 'P n m a'
structure.space_group.it_coordinate_system_code = 'abc'

structure.space_group.name_h_m = 'P n m a' structure.space_group.it_coordinate_system_code = 'abc'

Set Unit Cell¶

In [5]:

structure.cell.length_a = 10.3
structure.cell.length_b = 6.0
structure.cell.length_c = 4.8

structure.cell.length_a = 10.3 structure.cell.length_b = 6.0 structure.cell.length_c = 4.8

Set Atom Sites¶

In [6]:

structure.atom_sites.create(
    label='Co1',
    type_symbol='Co',
    fract_x=0,
    fract_y=0,
    fract_z=0,
    wyckoff_letter='a',
    b_iso=0.5,
)
structure.atom_sites.create(
    label='Co2',
    type_symbol='Co',
    fract_x=0.279,
    fract_y=0.25,
    fract_z=0.985,
    wyckoff_letter='c',
    b_iso=0.5,
)
structure.atom_sites.create(
    label='Si',
    type_symbol='Si',
    fract_x=0.094,
    fract_y=0.25,
    fract_z=0.429,
    wyckoff_letter='c',
    b_iso=0.5,
)
structure.atom_sites.create(
    label='O1',
    type_symbol='O',
    fract_x=0.091,
    fract_y=0.25,
    fract_z=0.771,
    wyckoff_letter='c',
    b_iso=0.5,
)
structure.atom_sites.create(
    label='O2',
    type_symbol='O',
    fract_x=0.448,
    fract_y=0.25,
    fract_z=0.217,
    wyckoff_letter='c',
    b_iso=0.5,
)
structure.atom_sites.create(
    label='O3',
    type_symbol='O',
    fract_x=0.164,
    fract_y=0.032,
    fract_z=0.28,
    wyckoff_letter='d',
    b_iso=0.5,
)

structure.atom_sites.create( label='Co1', type_symbol='Co', fract_x=0, fract_y=0, fract_z=0, wyckoff_letter='a', b_iso=0.5, ) structure.atom_sites.create( label='Co2', type_symbol='Co', fract_x=0.279, fract_y=0.25, fract_z=0.985, wyckoff_letter='c', b_iso=0.5, ) structure.atom_sites.create( label='Si', type_symbol='Si', fract_x=0.094, fract_y=0.25, fract_z=0.429, wyckoff_letter='c', b_iso=0.5, ) structure.atom_sites.create( label='O1', type_symbol='O', fract_x=0.091, fract_y=0.25, fract_z=0.771, wyckoff_letter='c', b_iso=0.5, ) structure.atom_sites.create( label='O2', type_symbol='O', fract_x=0.448, fract_y=0.25, fract_z=0.217, wyckoff_letter='c', b_iso=0.5, ) structure.atom_sites.create( label='O3', type_symbol='O', fract_x=0.164, fract_y=0.032, fract_z=0.28, wyckoff_letter='d', b_iso=0.5, )

Define Experiment¶

This section shows how to add experiments, configure their parameters, and link the structures defined in the previous step.

Download Measured Data¶

In [7]:

data_path = download_data(id=12, destination='data')

data_path = download_data(id=12, destination='data')

Getting data...

Data #12: Co2SiO4, D20 (ILL)

✅ Data #12 downloaded to 'data/ed-12.xye'

Create Experiment¶

In [8]:

expt = ExperimentFactory.from_data_path(name='d20', data_path=data_path)

expt = ExperimentFactory.from_data_path(name='d20', data_path=data_path)

Data loaded successfully

Experiment 🔬 'd20'. Number of data points: 1418.

Set Instrument¶

In [9]:

expt.instrument.setup_wavelength = 1.87
expt.instrument.calib_twotheta_offset = 0.1

expt.instrument.setup_wavelength = 1.87 expt.instrument.calib_twotheta_offset = 0.1

Set Peak Profile¶

In [10]:

expt.peak.broad_gauss_u = 0.3
expt.peak.broad_gauss_v = -0.5
expt.peak.broad_gauss_w = 0.4

expt.peak.broad_gauss_u = 0.3 expt.peak.broad_gauss_v = -0.5 expt.peak.broad_gauss_w = 0.4

Set Background¶

In [11]:

expt.background.create(id='1', x=8, y=500)
expt.background.create(id='2', x=9, y=500)
expt.background.create(id='3', x=10, y=500)
expt.background.create(id='4', x=11, y=500)
expt.background.create(id='5', x=12, y=500)
expt.background.create(id='6', x=15, y=500)
expt.background.create(id='7', x=25, y=500)
expt.background.create(id='8', x=30, y=500)
expt.background.create(id='9', x=50, y=500)
expt.background.create(id='10', x=70, y=500)
expt.background.create(id='11', x=90, y=500)
expt.background.create(id='12', x=110, y=500)
expt.background.create(id='13', x=130, y=500)
expt.background.create(id='14', x=150, y=500)

expt.background.create(id='1', x=8, y=500) expt.background.create(id='2', x=9, y=500) expt.background.create(id='3', x=10, y=500) expt.background.create(id='4', x=11, y=500) expt.background.create(id='5', x=12, y=500) expt.background.create(id='6', x=15, y=500) expt.background.create(id='7', x=25, y=500) expt.background.create(id='8', x=30, y=500) expt.background.create(id='9', x=50, y=500) expt.background.create(id='10', x=70, y=500) expt.background.create(id='11', x=90, y=500) expt.background.create(id='12', x=110, y=500) expt.background.create(id='13', x=130, y=500) expt.background.create(id='14', x=150, y=500)

Set Linked Phases¶

In [12]:

expt.linked_phases.create(id='cosio', scale=1.0)

expt.linked_phases.create(id='cosio', scale=1.0)

Define Project¶

The project object is used to manage the structure, experiment, and analysis.

Create Project¶

In [13]:

project = Project()

project = Project()

Set Plotting Engine¶

In [14]:

# Keep the auto-selected engine. Alternatively, you can uncomment the
# line below to explicitly set the engine to the required one.
# project.plotter.engine = 'plotly'

# Keep the auto-selected engine. Alternatively, you can uncomment the # line below to explicitly set the engine to the required one. # project.plotter.engine = 'plotly'

Add Structure¶

In [15]:

project.structures.add(structure)

project.structures.add(structure)

Add Experiment¶

In [16]:

project.experiments.add(expt)

project.experiments.add(expt)

Perform Analysis¶

This section shows the analysis process, including how to set up calculation and fitting engines.

Set Minimizer¶

In [17]:

project.analysis.current_minimizer = 'lmfit'

project.analysis.current_minimizer = 'lmfit'

Current minimizer changed to

lmfit

Plot Measured vs Calculated¶

In [18]:

project.plot_meas_vs_calc(expt_name='d20', show_residual=True)

project.plot_meas_vs_calc(expt_name='d20', show_residual=True)

In [19]:

project.plot_meas_vs_calc(expt_name='d20', x_min=41, x_max=54, show_residual=True)

project.plot_meas_vs_calc(expt_name='d20', x_min=41, x_max=54, show_residual=True)

Set Free Parameters¶

In [20]:

structure.cell.length_a.free = True
structure.cell.length_b.free = True
structure.cell.length_c.free = True

structure.atom_sites['Co2'].fract_x.free = True
structure.atom_sites['Co2'].fract_z.free = True
structure.atom_sites['Si'].fract_x.free = True
structure.atom_sites['Si'].fract_z.free = True
structure.atom_sites['O1'].fract_x.free = True
structure.atom_sites['O1'].fract_z.free = True
structure.atom_sites['O2'].fract_x.free = True
structure.atom_sites['O2'].fract_z.free = True
structure.atom_sites['O3'].fract_x.free = True
structure.atom_sites['O3'].fract_y.free = True
structure.atom_sites['O3'].fract_z.free = True

structure.atom_sites['Co1'].b_iso.free = True
structure.atom_sites['Co2'].b_iso.free = True
structure.atom_sites['Si'].b_iso.free = True
structure.atom_sites['O1'].b_iso.free = True
structure.atom_sites['O2'].b_iso.free = True
structure.atom_sites['O3'].b_iso.free = True

structure.cell.length_a.free = True structure.cell.length_b.free = True structure.cell.length_c.free = True structure.atom_sites['Co2'].fract_x.free = True structure.atom_sites['Co2'].fract_z.free = True structure.atom_sites['Si'].fract_x.free = True structure.atom_sites['Si'].fract_z.free = True structure.atom_sites['O1'].fract_x.free = True structure.atom_sites['O1'].fract_z.free = True structure.atom_sites['O2'].fract_x.free = True structure.atom_sites['O2'].fract_z.free = True structure.atom_sites['O3'].fract_x.free = True structure.atom_sites['O3'].fract_y.free = True structure.atom_sites['O3'].fract_z.free = True structure.atom_sites['Co1'].b_iso.free = True structure.atom_sites['Co2'].b_iso.free = True structure.atom_sites['Si'].b_iso.free = True structure.atom_sites['O1'].b_iso.free = True structure.atom_sites['O2'].b_iso.free = True structure.atom_sites['O3'].b_iso.free = True

In [21]:

expt.linked_phases['cosio'].scale.free = True

expt.instrument.calib_twotheta_offset.free = True

expt.peak.broad_gauss_u.free = True
expt.peak.broad_gauss_v.free = True
expt.peak.broad_gauss_w.free = True
expt.peak.broad_lorentz_y.free = True

for point in expt.background:
    point.y.free = True

expt.linked_phases['cosio'].scale.free = True expt.instrument.calib_twotheta_offset.free = True expt.peak.broad_gauss_u.free = True expt.peak.broad_gauss_v.free = True expt.peak.broad_gauss_w.free = True expt.peak.broad_lorentz_y.free = True for point in expt.background: point.y.free = True

Set Constraints¶

Set aliases for parameters.

In [22]:

project.analysis.aliases.create(
    label='biso_Co1',
    param_uid=project.structures['cosio'].atom_sites['Co1'].b_iso.uid,
)
project.analysis.aliases.create(
    label='biso_Co2',
    param_uid=project.structures['cosio'].atom_sites['Co2'].b_iso.uid,
)

project.analysis.aliases.create( label='biso_Co1', param_uid=project.structures['cosio'].atom_sites['Co1'].b_iso.uid, ) project.analysis.aliases.create( label='biso_Co2', param_uid=project.structures['cosio'].atom_sites['Co2'].b_iso.uid, )

Set constraints.

In [23]:

project.analysis.constraints.create(
    expression='biso_Co2 = biso_Co1',
)

project.analysis.constraints.create( expression='biso_Co2 = biso_Co1', )

Apply constraints.

In [24]:

project.analysis.apply_constraints()

project.analysis.apply_constraints()

Run Fitting¶

In [25]:

project.analysis.fit()
project.analysis.show_fit_results()

project.analysis.fit() project.analysis.show_fit_results()

Using experiment 🔬 'd20' for 'single' fitting

🚀 Starting fit process with 'lmfit (leastsq)'...

📈 Goodness-of-fit (reduced χ²) change:

	iteration	χ²	improvement [%]
1	1	423.20
2	43	71.71	83.1% ↓
3	83	40.36	43.7% ↓
4	123	16.81	58.3% ↓
5	163	9.39	44.1% ↓
6	203	7.85	16.4% ↓
7	243	5.18	34.0% ↓
8	283	4.59	11.4% ↓
9	484	4.58

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.373383617544757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.373383617544757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.3733873514182712 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877388699893504 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877388699893504 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -1.0877497474868254 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763660916558077 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763660916558077 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.6763728553843615 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851147026990017 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851147026990017 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.5851205539045408 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896368488567395 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896368488567395 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.37896747456041957 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133564878417413 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133564878417413 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.15133716215579568 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.09524996181237429 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.09524996181237429 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0952509143215175 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954803009883357 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954803009883357 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08954892558808945 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08840134742816119 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08840134742816119 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.0884022314504757 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806831241952466 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806831241952466 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08806919311145578 outside [0.0, inf]. Keeping current 0.08838381672996182.

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08796141260596217 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08796141260596217 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08796141260596217 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08796141260596217 outside [0.0, inf]. Keeping current 0.08838381672996182.

🏆 Best goodness-of-fit (reduced χ²) is 4.58 at iteration 483

✅ Fitting complete.

Fit results

✅ Success: True

⏱️ Fitting time: 25.76 seconds

📏 Goodness-of-fit (reduced χ²): 4.58

📏 R-factor (Rf): 3.05%

📏 R-factor squared (Rf²): 4.46%

📏 Weighted R-factor (wR): 4.74%

📈 Fitted parameters:

	datablock	category	entry	parameter	start	fitted	uncertainty	units	change
1	cosio	cell		length_a	10.3000	10.3090	0.0003	Å	0.09 % ↑
2	cosio	cell		length_b	6.0000	6.0039	0.0002	Å	0.07 % ↑
3	cosio	cell		length_c	4.8000	4.7868	0.0001	Å	0.28 % ↓
4	cosio	atom_site	Co1	b_iso	0.5000	-0.0880	0.1335	Ų	117.59 % ↓
5	cosio	atom_site	Co2	fract_x	0.2790	0.2800	0.0007		0.37 % ↑
6	cosio	atom_site	Co2	fract_z	0.9850	0.9841	0.0014		0.09 % ↓
7	cosio	atom_site	Si	fract_x	0.0940	0.0936	0.0004		0.44 % ↓
8	cosio	atom_site	Si	fract_z	0.4290	0.4288	0.0008		0.04 % ↓
9	cosio	atom_site	Si	b_iso	0.5000	0.3218	0.0614	Ų	35.65 % ↓
10	cosio	atom_site	O1	fract_x	0.0910	0.0910	0.0003		0.03 % ↓
11	cosio	atom_site	O1	fract_z	0.7710	0.7714	0.0006		0.05 % ↑
12	cosio	atom_site	O1	b_iso	0.5000	0.5990	0.0591	Ų	19.81 % ↑
13	cosio	atom_site	O2	fract_x	0.4480	0.4482	0.0003		0.05 % ↑
14	cosio	atom_site	O2	fract_z	0.2170	0.2165	0.0007		0.22 % ↓
15	cosio	atom_site	O2	b_iso	0.5000	0.5345	0.0587	Ų	6.89 % ↑
16	cosio	atom_site	O3	fract_x	0.1640	0.1636	0.0002		0.23 % ↓
17	cosio	atom_site	O3	fract_y	0.0320	0.0316	0.0003		1.36 % ↓
18	cosio	atom_site	O3	fract_z	0.2800	0.2800	0.0005		0.01 % ↓
19	cosio	atom_site	O3	b_iso	0.5000	0.8165	0.0487	Ų	63.30 % ↑
20	d20	linked_phases	cosio	scale	1.0000	1.1874	0.0106		18.74 % ↑
21	d20	peak		broad_gauss_u	0.3000	0.2423	0.0068	deg²	19.25 % ↓
22	d20	peak		broad_gauss_v	-0.5000	-0.5261	0.0146	deg²	5.22 % ↑
23	d20	peak		broad_gauss_w	0.4000	0.3795	0.0090	deg²	5.12 % ↓
24	d20	peak		broad_lorentz_y	0.0000	0.0190	0.0044	deg	N/A
25	d20	instrument		twotheta_offset	0.1000	0.2885	0.0020	deg	188.45 % ↑
26	d20	background	1	y	500.0000	608.4954	14.5634		21.70 % ↑
27	d20	background	2	y	500.0000	580.5085	9.7426		16.10 % ↑
28	d20	background	3	y	500.0000	562.8097	9.2562		12.56 % ↑
29	d20	background	4	y	500.0000	540.1901	8.7828		8.04 % ↑
30	d20	background	5	y	500.0000	519.8340	6.0587		3.97 % ↑
31	d20	background	6	y	500.0000	507.1716	3.4896		1.43 % ↑
32	d20	background	7	y	500.0000	463.3699	3.1942		7.33 % ↓
33	d20	background	8	y	500.0000	434.5094	2.3947		13.10 % ↓
34	d20	background	9	y	500.0000	450.8967	2.2526		9.82 % ↓
35	d20	background	10	y	500.0000	429.5636	2.0235		14.09 % ↓
36	d20	background	11	y	500.0000	413.2536	2.2601		17.35 % ↓
37	d20	background	12	y	500.0000	359.9738	2.1135		28.01 % ↓
38	d20	background	13	y	500.0000	289.0586	1.9411		42.19 % ↓
39	d20	background	14	y	500.0000	236.5410	2.9048		52.69 % ↓

Plot Measured vs Calculated¶

In [26]:

project.plot_meas_vs_calc(expt_name='d20', show_residual=True)

project.plot_meas_vs_calc(expt_name='d20', show_residual=True)

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08796141260596217 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08796141260596217 outside [0.0, inf]. Keeping current 0.08838381672996182.

In [27]:

project.plot_meas_vs_calc(expt_name='d20', x_min=41, x_max=54, show_residual=True)

project.plot_meas_vs_calc(expt_name='d20', x_min=41, x_max=54, show_residual=True)

Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08796141260596217 outside [0.0, inf]. Keeping current 0.08838381672996182.
Failed to apply constraint 'biso_Co2 = biso_Co1': Value mismatch for <cosio.atom_site.Co2.b_iso>. Provided -0.08796141260596217 outside [0.0, inf]. Keeping current 0.08838381672996182.

Summary¶

This final section shows how to review the results of the analysis.

Show Project Summary¶

In [28]:

project.summary.show_report()

project.summary.show_report()

————————————
PROJECT INFO
————————————

Title

Untitled Project

—————————————————————
CRYSTALLOGRAPHIC DATA
—————————————————————

Phase datablock

🧩 cosio

Space group

P n m a

Cell parameters

	Parameter	Value
1	a	10.30899
2	b	6.00392
3	c	4.78675
4	alpha	90.00000
5	beta	90.00000
6	gamma	90.00000

Atom sites

	label	type	x	y	z	occ	Biso
1	Co1	Co	0.00000	0.00000	0.00000	1.00000	-0.08796
2	Co2	Co	0.28002	0.25000	0.98410	1.00000	0.08838
3	Si	Si	0.09358	0.25000	0.42883	1.00000	0.32176
4	O1	O	0.09097	0.25000	0.77139	1.00000	0.59904
5	O2	O	0.44821	0.25000	0.21652	1.00000	0.53446
6	O3	O	0.16362	0.03157	0.27998	1.00000	0.81651

———————————
EXPERIMENTS
———————————

Experiment datablock

🔬 d20

Experiment type

powder, neutron, constant wavelength

Wavelength

1.87000

2θ offset

0.28845

Profile type

PeakProfileTypeEnum.PSEUDO_VOIGT

Peak broadening (Gaussian)

	Parameter	Value
1	U	0.24226
2	V	-0.52609
3	W	0.37951

Peak broadening (Lorentzian)

	Parameter	Value
1	X	0.00000
2	Y	0.01901

———————
FITTING
———————

Calculation engine

  d20: CalculatorEnum.CRYSPY

Minimization engine

lmfit

Fit quality

	metric	value
1	Goodness-of-fit (reduced χ²)	4.58