element(s):
['Ge']
AFLOW prototype label:
A_oI4_74_e
Parameter names:
['a', 'b/a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.1963', '0.99289879', '0.54889056', '0.13235996']
model name:
ThreeBodyBondOrder_KDS_KhorDasSarma_1988_Ge__MO_216597146527_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ge']
representative atom coordinates =  [[0.         0.25       0.13235996]]
spacegroup =  74
cell =  [[5.1963, 0, 0], [0, 5.1594, 0], [0, 0, 2.8522]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:10:25        6.654978        21.630775
BFGS:    1 17:10:25        5.117895        17.155218
BFGS:    2 17:10:25        3.422467        17.900779
BFGS:    3 17:10:25             nan              nan
Minimization stalled after 3 steps.
Maximum force component: nan eV/Angstrom
Maximum stress component: nan eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ge', 'Ge', 'Ge', 'Ge']
basis =  [[6.24849387e-53 2.50000000e-01 1.32356642e-01]
 [1.24969877e-52 7.50000000e-01 8.67643358e-01]
 [5.00000000e-01 7.50000000e-01 6.32356642e-01]
 [5.00000000e-01 2.50000000e-01 3.67643358e-01]]
cellpar =  Cell([[5.346817902451413, 1.825057689671573e-38, 0.0], [5.7888891642293194e-36, 5.311613658858816, 0.0], [0.0, 0.0, 2.9540357732868507]])
forces =  [[nan nan nan]
 [nan nan nan]
 [nan nan nan]
 [nan nan nan]]
stress =  [nan nan nan nan nan nan]
energy per atom =  nan
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Skipping parameter set 0 because of error while adding or validating property:
 Out of range float values are not KIM-EDN compliant: nan
No parameter sets in this group successfully added a property instance. Skipping this group.