element(s):
['Cr', 'Ni']
AFLOW prototype label:
AB2_cF24_227_a_d
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.8546']
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.    0.   ]
 [0.625 0.625 0.625]]
spacegroup =  227
cell =  [[6.8546, 0, 0], [0, 6.8546, 0], [0, 0, 6.8546]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:17:42      -36.180959        0.8385
BFGS:    1 17:17:43      -36.210904        0.8281
BFGS:    2 17:17:43      -36.331804        0.7836
BFGS:    3 17:17:43      -36.445872        0.7370
BFGS:    4 17:17:44      -36.552796        0.6883
BFGS:    5 17:17:44      -36.652245        0.6373
BFGS:    6 17:17:44      -36.743873        0.5840
BFGS:    7 17:17:44      -36.827314        0.5281
BFGS:    8 17:17:45      -36.902186        0.4697
BFGS:    9 17:17:45      -36.968085        0.4085
BFGS:   10 17:17:46      -37.024591        0.3444
BFGS:   11 17:17:46      -37.071261        0.2773
BFGS:   12 17:17:47      -37.107634        0.2071
BFGS:   13 17:17:47      -37.133227        0.1336
BFGS:   14 17:17:47      -37.147535        0.0566
BFGS:   15 17:17:48      -37.150549        0.0023
BFGS:   16 17:17:48      -37.150554        0.0000
BFGS:   17 17:17:48      -37.150554        0.0000
BFGS:   18 17:17:49      -37.150554        0.0000
Minimization converged after 18 steps.
Maximum force component: 1.257862776306795e-30 eV/Angstrom
Maximum stress component: 1.900880662939308e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[1.34818084e-33 1.02716343e-32 2.72709350e-33]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.79956424e-33]
 [5.00000000e-01 6.74248793e-33 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [6.25000000e-01 6.25000000e-01 6.25000000e-01]
 [3.75000000e-01 8.75000000e-01 1.25000000e-01]
 [8.75000000e-01 1.25000000e-01 3.75000000e-01]
 [1.25000000e-01 3.75000000e-01 8.75000000e-01]
 [8.75000000e-01 3.75000000e-01 1.25000000e-01]
 [3.75000000e-01 1.25000000e-01 8.75000000e-01]
 [1.25000000e-01 8.75000000e-01 3.75000000e-01]
 [6.25000000e-01 1.25000000e-01 1.25000000e-01]
 [3.75000000e-01 3.75000000e-01 6.25000000e-01]
 [8.75000000e-01 6.25000000e-01 8.75000000e-01]
 [8.75000000e-01 8.75000000e-01 6.25000000e-01]
 [3.75000000e-01 6.25000000e-01 3.75000000e-01]
 [1.25000000e-01 6.25000000e-01 1.25000000e-01]
 [6.25000000e-01 3.75000000e-01 3.75000000e-01]
 [6.25000000e-01 8.75000000e-01 8.75000000e-01]
 [1.25000000e-01 1.25000000e-01 6.25000000e-01]]
cellpar =  Cell([[6.65543166632371, -4.599861266547713e-33, -4.637890003336641e-35], [1.2827687705148151e-34, 6.65543166632371, 1.4945501239199464e-19], [-1.7847157132145901e-35, 1.4945501239199466e-19, 6.65543166632371]])
forces =  [[ 2.22176849e-32  2.56357903e-32  2.39267376e-32]
 [ 8.54526343e-33  3.41810537e-32  1.87995795e-32]
 [ 2.74407239e-67  1.70905269e-32  2.05086322e-32]
 [ 1.19633688e-32  2.05086322e-32  1.96541059e-32]
 [-1.70905269e-32 -1.70905269e-32 -1.19633688e-32]
 [-3.41810537e-33 -3.75991591e-32  3.41810537e-33]
 [-1.87995795e-32  2.05086322e-32 -2.22176849e-32]
 [-1.02543161e-32  3.41810537e-33  1.70905269e-33]
 [-1.64069058e-31  3.28138116e-31  7.36870102e-51]
 [-4.37517487e-31  7.65655603e-31 -1.03910403e-30]
 [ 2.59776008e-31 -3.55482959e-31 -2.18758744e-31]
 [ 2.18758744e-31 -3.82827801e-31  2.73448430e-31]
 [-4.92207173e-31 -6.56276231e-31  6.56276231e-31]
 [-7.65655603e-31  6.56276231e-31 -4.92207173e-31]
 [ 1.77741479e-31 -8.61362553e-31  2.59776008e-31]
 [-1.64069058e-31  2.18758744e-31 -1.09379372e-31]
 [-1.09379372e-31  1.09379372e-30  5.46896859e-32]
 [-6.56276231e-31  3.82827801e-31 -4.37517487e-31]
 [ 5.46896859e-31 -1.21684551e-30  1.64069058e-31]
 [ 2.73448430e-31 -1.64069058e-31 -1.64069058e-31]
 [-1.64069058e-31 -2.45623367e-51 -1.09379372e-31]
 [ 6.01586545e-31 -1.25786278e-30 -7.10965917e-31]
 [-3.28138116e-31  3.28138116e-31 -4.92207173e-31]
 [-6.83621074e-32  1.36724215e-31 -8.20345289e-32]]
stress =  [-1.90088066e-14 -1.90088066e-14 -1.90088066e-14 -6.64648170e-32
  9.27570114e-35  4.19630482e-52]
energy per atom =  -1.547939744827847
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0