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:
MEAM_LAMMPS_ChoiKimSeol_2017_CoCr__MO_410167849923_002
==== 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 14:51:41       -5.572812        3.4917
BFGS:    1 14:51:41       -6.064047        3.4136
BFGS:    2 14:51:41       -6.551477        3.2618
BFGS:    3 14:51:41       -7.018942        3.0468
BFGS:    4 14:51:41       -7.440603        2.7246
BFGS:    5 14:51:41       -7.778572        2.1659
BFGS:    6 14:51:41       -8.001573        1.3322
BFGS:    7 14:51:41       -8.077531        0.1686
BFGS:    8 14:51:41       -8.078596        0.1913
BFGS:    9 14:51:41       -8.081537        0.1294
BFGS:   10 14:51:41       -8.082185        0.0341
BFGS:   11 14:51:41       -8.082220        0.0039
BFGS:   12 14:51:41       -8.082221        0.0006
BFGS:   13 14:51:41       -8.082221        0.0000
BFGS:   14 14:51:41       -8.082221        0.0000
BFGS:   15 14:51:41       -8.082221        0.0000
Minimization converged after 15 steps.
Maximum force component: 4.26459753695343e-32 eV/Angstrom
Maximum stress component: 5.223248456353254e-10 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([[2.594889421176405, 2.976893471617296e-17, 9.206914658952514e-36], [-1.2974447105882025, 2.2472401587502633, -3.753543254080424e-36], [1.8480750874858016e-36, 7.773693774546705e-35, 4.163372513413446]])
forces =  [[-2.13229877e-32  1.84662490e-32 -6.86719901e-68]
 [-4.26459754e-32 -1.84662490e-32 -1.58295980e-67]]
stress =  [-5.22324846e-10 -5.22324846e-10 -4.03799646e-10 -1.09785366e-34
 -1.90153833e-34 -1.45848706e-25]
energy per atom =  -4.041110374356451
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0