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_WuLeeSu_2017_NiCr__MO_880803040302_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 16:17:43      -16.051888         0.033718
BFGS:    1 16:17:43      -16.051933         0.028743
BFGS:    2 16:17:43      -16.052052         0.000139
BFGS:    3 16:17:43      -16.052052         0.000001
BFGS:    4 16:17:43      -16.052052         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.20259651035575e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.72107978e-54 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.6498309904240553, 2.9454002627545324e-37, -5.152774953765813e-43], [2.403118285033361e-37, 3.6498309904240553, -2.494904907803246e-37], [-6.552494442839728e-44, -3.297646782642581e-38, 3.6498309904240553]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 9.20259651e-13  9.20259651e-13  9.20259651e-13 -5.65308311e-34
  1.54213964e-34 -1.47798851e-56]
energy per atom =  -4.013013099782379
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0