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_NiCrFe__MO_912636107108_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 16:52:10      -16.051888        0.0337
BFGS:    1 16:52:10      -16.051933        0.0287
BFGS:    2 16:52:10      -16.052052        0.0001
BFGS:    3 16:52:10      -16.052052        0.0000
BFGS:    4 16:52:10      -16.052052        0.0000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.192748660945048e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.34335428e-50 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([[3.6498309904240545, -1.1254152429048539e-33, 8.230322359540661e-33], [6.004722917806829e-34, 3.6498309904240545, -1.9357352992268773e-22], [1.1307719239505346e-33, -1.9357352991369304e-22, 3.6498309904240545]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [9.19274866e-13 9.19274866e-13 9.19274866e-13 3.46944122e-28
 5.39748874e-34 1.33069623e-49]
energy per atom =  -4.013013099782374
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0