element(s):
['Cr']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6528']
model name:
MEAM_LAMMPS_ChoiKimSeol_2017_CrMn__MO_671124822359_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.6528, 0, 0], [0, 3.6528, 0], [0, 0, 3.6528]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 20:41:00      -16.051888         0.033718
BFGS:    1 20:41:00      -16.051933         0.028743
BFGS:    2 20:41:00      -16.052052         0.000139
BFGS:    3 20:41:01      -16.052052         0.000001
BFGS:    4 20:41:01      -16.052052         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.226656832890613e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [0.0000000e+00 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 3.2206816e-39 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 3.2206816e-39]]
cellpar =  Cell([[3.649830986026049, 2.8235101211544527e-34, 9.472867670154076e-35], [-2.813539823873498e-34, 3.649830986026049, -1.5912697327363166e-22], [-8.25078227295954e-34, -1.5912697327359649e-22, 3.649830986026049]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 9.22665683e-13  9.22665683e-13  9.22665683e-13  2.04861893e-28
 -2.16863387e-35 -2.40485034e-51]
energy per atom =  -4.013013100024992
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0