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_SmirnovaKuskinStarikov_2013_UMoXe__MO_679329885632_005
==== 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 14:38:27       -6.073154        1.7995
BFGS:    1 14:38:27       -6.141430        0.5857
BFGS:    2 14:38:27       -6.143351        0.1666
BFGS:    3 14:38:27       -6.143741        0.0565
BFGS:    4 14:38:27       -6.143859        0.0254
BFGS:    5 14:38:27       -6.143864        0.0060
BFGS:    6 14:38:27       -6.143864        0.0001
BFGS:    7 14:38:27       -6.143864        0.0000
BFGS:    8 14:38:27       -6.143864        0.0000
BFGS:    9 14:38:27       -6.143864        0.0000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.496159800761729e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.703523254226618, -3.9715003850482225e-18, -1.6504117794944546e-36], [-1.351761627113309, 2.3413198178822263, 1.5428219651545684e-36], [-5.9337455635040895e-36, -2.7397471267615e-35, 2.486140334355886]])
forces =  [[0. 0. 0.]]
stress =  [-9.36934704e-12 -9.36934704e-12  9.49615980e-11  4.32771638e-38
 -7.42811561e-38 -2.98485934e-27]
energy per atom =  -6.111702453662361
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0