element(s):
['Cr', 'Ni']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5867']
model name:
Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Ni']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.5867, 0, 0], [0, 3.5867, 0], [0, 0, 3.5867]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 03:30:58       -7.224196        0.2976
BFGS:    1 03:30:58       -7.227723        0.2553
BFGS:    2 03:30:58       -7.236961        0.0218
BFGS:    3 03:30:58       -7.237023        0.0014
BFGS:    4 03:30:59       -7.237024        0.0000
BFGS:    5 03:30:59       -7.237024        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.078674603858567e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Ni']
basis =  [[1.68099917e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 6.19077717e-17 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.19077717e-17]
 [1.33305999e-65 6.19077717e-17 6.19077717e-17]]
cellpar =  Cell([[3.5615680546274007, -4.545309305232168e-33, -2.6101244416601606e-33], [-6.020377622396736e-34, 3.5615680546274007, -5.514319094838651e-20], [4.731860943720074e-33, -5.514319094838889e-20, 3.5615680546274007]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.07867460e-10 -2.07867460e-10 -2.07867460e-10  2.78026948e-26
  3.21795597e-59  1.65211772e-59]
energy per atom =  -1.8092558752260293
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0