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_2004_Mo__MO_271256517527_005
==== 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        0.8467
BFGS:    1 17:04:38      -26.536340        0.7327
BFGS:    2 17:04:38      -26.612074        0.2800
BFGS:    3 17:04:38      -26.624251        0.0255
BFGS:    4 17:04:38      -26.624343        0.0018
BFGS:    5 17:04:38      -26.624344        0.0000
BFGS:    6 17:04:38      -26.624344        0.0000
BFGS:    7 17:04:38      -26.624344        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.4061501196977337e-14 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([[4.1192478891094915, 1.6450889230800946e-32, -3.915761717183945e-34], [1.5751629610726456e-32, 4.1192478891094915, 1.1255431946902272e-17], [1.8945692080014848e-35, 1.1255431946902268e-17, 4.1192478891094915]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.40615012e-14 -1.40615012e-14 -1.40615012e-14  4.54276721e-32
 -1.65524175e-36  3.05951242e-54]
energy per atom =  -6.656085029693679
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0