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_LiChenZheng_2019_NbTaWMo__MO_560387080449_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 15:27:53        1.462479         0.455095
BFGS:    1 15:27:53        1.455220         0.288093
BFGS:    2 15:27:54        1.450586         0.015992
BFGS:    3 15:27:54        1.450572         0.000504
BFGS:    4 15:27:54        1.450572         0.000001
BFGS:    5 15:27:54        1.450572         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.6444517327700135e-12 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 9.60387538e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.010734975462478, 1.6610835300986974e-32, -1.8679469505509732e-33], [1.66958653204142e-33, 4.010734975462478, -2.468569639228651e-18], [4.17581448213628e-33, -2.46856963922865e-18, 4.010734975462478]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.64445173e-12 -2.64445173e-12 -2.64445173e-12 -7.52877544e-30
  1.23718029e-34  2.28922492e-52]
energy per atom =  -6.5144044604051174
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0