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 15:19:56      -41.859955         0.470212
BFGS:    1 15:19:56      -41.868255         0.352332
BFGS:    2 15:19:56      -41.877899         0.043149
BFGS:    3 15:19:56      -41.878029         0.003253
BFGS:    4 15:19:56      -41.878030         0.000027
BFGS:    5 15:19:56      -41.878030         0.000000
BFGS:    6 15:19:56      -41.878030         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.84901189584951e-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 9.39674797e-38 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.003067799575834, -1.6452317003832027e-34, -9.496943619535952e-33], [-1.0895709940252122e-33, 4.003067799575834, 4.372964567679452e-21], [-2.567676479530338e-32, 4.372964567689887e-21, 4.003067799575834]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 5.84901190e-15  5.84901190e-15  5.84901190e-15 -9.71857788e-32
 -5.00775822e-37  6.22808516e-53]
energy per atom =  -5.114901784560146
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0