element(s):
['Fe', 'Ni']
AFLOW prototype label:
A2B_cF24_227_c_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.7867']
model name:
Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Ni']
representative atom coordinates =  [[0.125 0.125 0.125]
 [0.5   0.5   0.5  ]]
spacegroup =  227
cell =  [[6.7867, 0, 0], [0, 6.7867, 0], [0, 0, 6.7867]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:53:20      -35.591691         0.115085
BFGS:    1 16:53:23      -35.592253         0.112806
BFGS:    2 16:53:25      -35.603899         0.041982
BFGS:    3 16:53:27      -35.605710         0.001432
BFGS:    4 16:53:30      -35.605712         0.000017
BFGS:    5 16:53:32      -35.605712         0.000000
Minimization converged after 5 steps.
Maximum force component: 3.4738580481956636e-31 eV/Angstrom
Maximum stress component: 5.495309297810019e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[1.25000000e-01 1.25000000e-01 1.25000000e-01]
 [8.75000000e-01 3.75000000e-01 6.25000000e-01]
 [3.75000000e-01 6.25000000e-01 8.75000000e-01]
 [6.25000000e-01 8.75000000e-01 3.75000000e-01]
 [3.75000000e-01 8.75000000e-01 6.25000000e-01]
 [8.75000000e-01 6.25000000e-01 3.75000000e-01]
 [6.25000000e-01 3.75000000e-01 8.75000000e-01]
 [1.25000000e-01 6.25000000e-01 6.25000000e-01]
 [8.75000000e-01 8.75000000e-01 1.25000000e-01]
 [3.75000000e-01 1.25000000e-01 3.75000000e-01]
 [3.75000000e-01 3.75000000e-01 1.25000000e-01]
 [8.75000000e-01 1.25000000e-01 8.75000000e-01]
 [6.25000000e-01 1.25000000e-01 6.25000000e-01]
 [1.25000000e-01 8.75000000e-01 8.75000000e-01]
 [1.25000000e-01 3.75000000e-01 3.75000000e-01]
 [6.25000000e-01 6.25000000e-01 1.25000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.63588051e-17 6.54352203e-17]
 [6.54352203e-17 1.63588051e-17 5.00000000e-01]
 [6.54352203e-17 5.00000000e-01 6.54352203e-17]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[6.7639883364908515, 1.942715796096433e-35, -2.2682064115184784e-40], [-1.131426187966519e-42, 6.7639883364908515, 7.373765200853748e-22], [-4.773029148122336e-34, 7.373765200853748e-22, 6.7639883364908515]])
forces =  [[ 4.16862966e-32 -2.77908644e-32  5.55817288e-32]
 [ 1.94536051e-31 -1.38954322e-31 -6.94771610e-32]
 [ 1.11163458e-31 -1.38954322e-32  2.08431483e-32]
 [ 4.16862966e-32 -1.80640619e-31 -8.33725932e-32]
 [-1.58060541e-31 -2.57065496e-31  1.59797470e-31]
 [-3.47385805e-31 -4.16862966e-32  5.55817288e-32]
 [ 1.38954322e-32 -8.33725932e-32 -4.16862966e-32]
 [ 1.04215741e-31  3.37615579e-32  8.33725932e-32]
 [-1.94536051e-31  1.06036786e-53  9.72680253e-32]
 [-3.26542657e-31 -5.55817288e-32  6.94771610e-32]
 [-3.03962579e-32  1.18111174e-31 -2.35353883e-31]
 [ 1.38954322e-31  8.33725932e-32 -2.77908644e-32]
 [ 9.72680253e-32 -5.55817288e-32  4.16862966e-32]
 [ 2.36222347e-31 -6.25294449e-32  1.21585032e-31]
 [ 1.38954322e-31 -1.38954322e-32 -5.55817288e-32]
 [ 1.00741883e-31  5.81871223e-32  2.60539354e-32]
 [ 1.58494773e-32  5.21078707e-33  9.55310963e-33]
 [-8.68464512e-34  9.98734189e-33  6.73059997e-33]
 [ 1.05844112e-32 -6.67632094e-33 -1.73692902e-33]
 [ 2.82250966e-33  1.34611999e-32 -6.51348384e-34]
 [-6.51348384e-34 -7.81618061e-33  9.98734189e-33]
 [ 2.17116128e-34  1.24841774e-32  8.14185480e-34]
 [ 6.51348384e-33  1.30269677e-33 -3.47385805e-33]
 [ 3.14818386e-33 -1.01501790e-32 -7.16483222e-33]]
stress =  [ 5.49530930e-10  5.49530930e-10  5.49530930e-10 -1.19286161e-27
  4.91888360e-59  4.00549135e-62]
energy per atom =  -1.4835713278806892
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0