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_LiHuChen_2018_NiMo__MO_468686727341_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 17:05:52      -41.538634        0.0280
BFGS:    1 17:05:52      -41.538665        0.0239
BFGS:    2 17:05:52      -41.538751        0.0002
BFGS:    3 17:05:53      -41.538751        0.0000
BFGS:    4 17:05:53      -41.538751        0.0000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.6135469283705984e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Mo', 'Mo']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.0308216039074924, 1.019310851234202e-33, -9.592367987653207e-33], [-1.75767006241944e-33, 4.0308216039074924, 5.375132033528778e-19], [5.967861988499319e-33, 5.375132033528621e-19, 4.0308216039074924]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.61354693e-12 -2.61354693e-12 -2.61354693e-12 -1.55014574e-29
  1.10634380e-34 -2.26845925e-50]
energy per atom =  -2.660467064734366
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0