element(s):
['Cr', 'Ni']
AFLOW prototype label:
A3B_cF16_225_ac_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.705']
model name:
Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Cr', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]
 [0.5  0.5  0.5 ]]
spacegroup =  225
cell =  [[5.705, 0, 0], [0, 5.705, 0], [0, 0, 5.705]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:24:38      -27.502007         0.039065
BFGS:    1 10:24:39      -27.502071         0.037686
BFGS:    2 10:24:40      -27.502927         0.000414
BFGS:    3 10:24:41      -27.502927         0.000004
BFGS:    4 10:24:41      -27.502927         0.000000
Minimization converged after 4 steps.
Maximum force component: 3.278370410867242e-31 eV/Angstrom
Maximum stress component: 4.233050136702603e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.31998726e-37]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 1.31998726e-37]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[5.699421557631533, -4.504964092932415e-34, 9.498735967459998e-34], [7.2094817682735985e-34, 5.699421557631533, -1.1721937051320194e-20], [2.4224756809062755e-34, -1.1721937051308028e-20, 5.699421557631533]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.17084658e-31  1.74163428e-31  2.34169315e-32]
 [-2.34169315e-32 -1.34647356e-31  2.92711644e-33]
 [ 1.08303308e-31  2.15143058e-31  1.75626986e-32]
 [-1.17084658e-32 -2.75148945e-31 -8.78134931e-32]
 [ 2.10752384e-31  2.15143058e-31  8.78134931e-33]
 [ 2.60513363e-31 -1.87335452e-31  2.22460849e-31]
 [ 3.27837041e-31 -2.10752384e-31  2.63440479e-31]
 [ 3.51253973e-32  1.63918521e-31  9.36677260e-32]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 4.23305014e-11  4.23305014e-11  4.23305014e-11 -2.50605378e-28
  4.98033103e-34  7.11740314e-50]
energy per atom =  -1.7189329408813412
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0