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_CrMn__MO_671124822359_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       -5.573887        3.4903
BFGS:    1 14:51:41       -6.064887        3.4128
BFGS:    2 14:51:41       -6.552319        3.2616
BFGS:    3 14:51:41       -7.019817        3.0470
BFGS:    4 14:51:41       -7.440673        2.7178
BFGS:    5 14:51:41       -7.778529        2.1660
BFGS:    6 14:51:41       -8.001569        1.3322
BFGS:    7 14:51:41       -8.077536        0.1686
BFGS:    8 14:51:41       -8.078600        0.1912
BFGS:    9 14:51:41       -8.081532        0.1298
BFGS:   10 14:51:41       -8.082184        0.0344
BFGS:   11 14:51:41       -8.082220        0.0040
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: 2.3082811211654127e-33 eV/Angstrom
Maximum stress component: 5.399804890584277e-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([[2.5948894141127448, 4.771373730081782e-17, 4.440447298957243e-36], [-1.2974447070563724, 2.2472401526329544, -9.721938875033338e-36], [-2.678157991643073e-35, -1.5834908701155612e-34, 4.163372507086028]])
forces =  [[ 1.33268673e-33 -2.30828112e-33  9.98601237e-69]
 [-1.33268673e-33  2.30828112e-33 -9.98601237e-69]]
stress =  [-5.39980489e-10 -5.39980489e-10 -4.18545893e-10  4.39141468e-34
  8.47723600e-45 -5.62773098e-26]
energy per atom =  -4.041110374346426
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0