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:
EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Mo__MO_230319944007_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 17:04:38      -26.507692        0.8466
BFGS:    1 17:04:38      -26.536335        0.7327
BFGS:    2 17:04:38      -26.612076        0.2802
BFGS:    3 17:04:38      -26.624250        0.0256
BFGS:    4 17:04:38      -26.624343        0.0018
BFGS:    5 17:04:38      -26.624343        0.0000
BFGS:    6 17:04:38      -26.624343        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.0775502761044794e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Mo', 'Mo']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.32209478e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.119254929150819, 1.578845276648892e-32, -2.9272317029260803e-33], [1.5887464126543475e-32, 4.119254929150819, -5.8732033455975025e-18], [6.108918875359018e-34, -5.873203345597507e-18, 4.119254929150819]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.07755028e-10  2.07755028e-10  2.07755028e-10 -3.21574101e-27
 -2.90959470e-37 -5.22768994e-54]
energy per atom =  -6.656085735930496
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0