element(s):
['Mo']
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:
['4.028']
model name:
SNAP_ZuoChenLi_2019_Mo__MO_014123846623_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mo']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.028, 0, 0], [0, 4.028, 0], [0, 0, 4.028]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:29:13      -41.859955         0.470212
BFGS:    1 16:29:13      -41.868255         0.352332
BFGS:    2 16:29:13      -41.877899         0.043149
BFGS:    3 16:29:13      -41.878029         0.003253
BFGS:    4 16:29:13      -41.878030         0.000027
BFGS:    5 16:29:13      -41.878030         0.000000
BFGS:    6 16:29:13      -41.878030         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.594262719823363e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Mo', 'Mo']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 9.39674797e-38]]
cellpar =  Cell([[4.003067799575833, 9.80166322687675e-37, -7.158840247676064e-33], [1.020072027505871e-32, 4.003067799575833, 3.952434886833827e-21], [-1.934335802544465e-32, 3.952434886826654e-21, 4.003067799575833]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.59426272e-15  4.59426272e-15  4.59426272e-15  9.82524420e-31
 -4.80744789e-35 -3.56161471e-51]
energy per atom =  -5.114901784560148
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0