element(s):
['Cr', 'Ni']
AFLOW prototype label:
AB3_cF16_225_a_bc
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.7577']
model name:
Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Ni', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[5.7577, 0, 0], [0, 5.7577, 0], [0, 0, 5.7577]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 13:56:45      -27.630240        0.7436
BFGS:    1 13:56:45      -27.653658        0.7261
BFGS:    2 13:56:46      -27.756198        0.6400
BFGS:    3 13:56:46      -27.845318        0.5471
BFGS:    4 13:56:46      -27.919975        0.4471
BFGS:    5 13:56:46      -27.979049        0.3393
BFGS:    6 13:56:47      -28.021349        0.2233
BFGS:    7 13:56:47      -28.045606        0.0986
BFGS:    8 13:56:47      -28.051124        0.0065
BFGS:    9 13:56:47      -28.051148        0.0002
BFGS:   10 13:56:48      -28.051148        0.0000
BFGS:   11 13:56:48      -28.051148        0.0000
Minimization converged after 11 steps.
Maximum force component: 1.805091596887525e-30 eV/Angstrom
Maximum stress component: 1.1930029955343691e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', '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 6.83856603e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 6.83856603e-35]
 [9.71818683e-49 1.36771321e-34 5.00000000e-01]
 [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]]
cellpar =  Cell([[5.632554944643456, -1.4397876208603347e-33, 7.085970653169635e-32], [1.900256535852387e-32, 5.632554944643456, -6.501494680171119e-18], [5.928422112724537e-32, -6.501494680171112e-18, 5.632554944643456]])
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]
 [ 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]
 [ 1.21496550e-30  4.04988499e-31 -2.54564200e-31]
 [-7.96236317e-31  3.32036330e-31 -1.76730472e-30]
 [ 1.34911794e-30  3.58704099e-31  1.38853200e-31]
 [-9.14116898e-31  5.84340549e-31  1.80509160e-30]
 [ 1.27282100e-30 -5.43841699e-31  1.29596320e-30]
 [-1.49194870e-30 -3.19651637e-31  5.66983899e-31]
 [-1.41167420e-30 -6.21946624e-31  1.23304534e-31]
 [ 1.06327561e-30 -6.82694899e-31 -1.36575139e-30]]
stress =  [-1.19300300e-12 -1.19300300e-12 -1.19300300e-12 -1.19362887e-28
  1.22641285e-60 -5.51895623e-61]
energy per atom =  -1.753196751325508
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0