element(s):
['Mo']
AFLOW prototype label:
A_hP1_191_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.7779', '0.90949998']
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 =  191
cell =  [[2.7779, 0, 0], [-1.38895, 2.4057319691728, 0], [0, 0, 2.5265]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:53:20       -5.486029         1.539086
BFGS:    1 16:53:20       -5.512637         0.908714
BFGS:    2 16:53:20       -5.532668         0.263735
BFGS:    3 16:53:20       -5.535730         0.040292
BFGS:    4 16:53:20       -5.535805         0.009027
BFGS:    5 16:53:20       -5.535808         0.004681
BFGS:    6 16:53:20       -5.535809         0.000214
BFGS:    7 16:53:20       -5.535809         0.000013
BFGS:    8 16:53:20       -5.535809         0.000000
BFGS:    9 16:53:20       -5.535809         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.68339812715009e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.7964228219164036, 1.5714118093284878e-18, 4.1814806149422655e-37], [-1.3982114109582018, 2.4217732035021733, 3.674400333345431e-37], [1.7938433442672807e-37, 1.0881764638113738e-36, 2.712109377316956]])
forces =  [[0. 0. 0.]]
stress =  [ 6.68339813e-11  6.68339813e-11 -5.15050985e-11 -5.12009258e-47
 -9.41362050e-48  1.49826165e-26]
energy per atom =  -5.535808638707331
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0