element(s):
['Cr']
AFLOW prototype label:
A_hP2_194_c
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:
['3.0849', '1.6535058']
model name:
Sim_LAMMPS_EAM_EichBeinkeSchmitz_2015_FeCr__SM_731771351835_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.0849, 0, 0], [-1.54245, 2.6716017681346, 0], [0, 0, 5.1009]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:52:15       -4.632579        4.7198
BFGS:    1 14:52:15       -5.371061        5.2183
BFGS:    2 14:52:15       -6.154663        5.2449
BFGS:    3 14:52:15       -6.819156        4.2890
BFGS:    4 14:52:15       -7.269627        2.7466
BFGS:    5 14:52:15       -7.528331        1.3036
BFGS:    6 14:52:15       -7.610010        0.0994
BFGS:    7 14:52:15       -7.610559        0.0085
BFGS:    8 14:52:15       -7.610561        0.0059
BFGS:    9 14:52:15       -7.610562        0.0050
BFGS:   10 14:52:15       -7.610563        0.0017
BFGS:   11 14:52:15       -7.610563        0.0003
BFGS:   12 14:52:15       -7.610563        0.0000
BFGS:   13 14:52:16       -7.610563        0.0000
BFGS:   14 14:52:16       -7.610563        0.0000
BFGS:   15 14:52:16       -7.610563        0.0000
Minimization converged after 15 steps.
Maximum force component: 9.831390931895024e-32 eV/Angstrom
Maximum stress component: 3.8830715363273855e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.6587239713909545, 1.4228590581398513e-16, 1.0940408001927183e-35], [-1.3293619856954773, 2.3025225008752157, 3.4400231935367544e-36], [-4.922930826387969e-36, 5.060386046904925e-37, 4.341678064553379]])
forces =  [[ 9.83139093e-32 -1.89205207e-32  3.31334800e-67]
 [-9.83139093e-32  1.89205207e-32 -3.31334800e-67]]
stress =  [ 3.46801467e-11  3.46801467e-11  3.88307154e-11  8.21992207e-34
  7.11866133e-34 -1.95800000e-26]
energy per atom =  -3.8052813569848722
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0