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 16:29:17      -41.538634         0.027953
BFGS:    1 16:29:17      -41.538665         0.023945
BFGS:    2 16:29:17      -41.538751         0.000168
BFGS:    3 16:29:17      -41.538751         0.000001
BFGS:    4 16:29:17      -41.538751         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.6135469283705988e-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, 1.0193108513786e-33, 6.351394691239321e-33], [-1.7576700625974323e-33, 4.0308216039074924, 5.3751320335286155e-19], [-8.83398955470415e-33, 5.375132033528784e-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 -3.61555211e-28
  1.10634380e-34  1.56397816e-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