element(s):
['Ge']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2619']
model name:
ThreeBodyBondOrder_KDS_KhorDasSarma_1988_Ge__MO_216597146527_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ge']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.2619, 0, 0], [0, 4.2619, 0], [0, 0, 4.2619]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:00:53        1.351041        6.4491
BFGS:    1 17:00:53        0.626783        4.2129
BFGS:    2 17:00:53             nan           nan
Minimization stalled after 2 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 =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 7.16992969e-54 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.33838688e-51]]
cellpar =  Cell([[4.3684475, -1.4877191170554345e-35, -1.1651085840265708e-34], [1.4877191170554345e-35, 4.3684475, 1.1901752936443476e-34], [-2.6453008099659374e-53, 1.735227686771268e-37, 4.3684475]])
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.