element(s):
['Fe', '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:
['5.6652']
model name:
Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Ni', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[5.6652, 0, 0], [0, 5.6652, 0], [0, 0, 5.6652]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:02:47      -28.325711         0.292124
BFGS:    1 16:02:48      -28.329309         0.282627
BFGS:    2 16:02:48      -28.362934         0.164300
BFGS:    3 16:02:48      -28.378162         0.037233
BFGS:    4 16:02:48      -28.378945         0.001733
BFGS:    5 16:02:49      -28.378947         0.000017
BFGS:    6 16:02:49      -28.378947         0.000000
Minimization converged after 6 steps.
Maximum force component: 5.377549912117315e-30 eV/Angstrom
Maximum stress component: 6.927618888085367e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', '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 6.84975323e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.84975323e-35]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.57673593e-69 3.80237687e-51]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 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([[5.623355702598209, -3.5812158149222985e-33, 2.2454016282091167e-34], [-3.725670592250974e-34, 5.623355702598209, -3.810748687078173e-18], [-6.021267211804653e-34, -3.810748687078173e-18, 5.623355702598209]])
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]
 [-5.54505684e-31  8.77967333e-31  9.93489350e-31]
 [ 3.35013851e-31  1.05125036e-30 -5.37754991e-30]
 [ 2.39708186e-31  4.62088070e-31  2.95736365e-30]
 [ 7.85549719e-31 -4.62088070e-31  8.54862929e-31]
 [-1.54799503e-30 -4.62088070e-32  1.57109944e-30]
 [-9.55944694e-31 -1.58265164e-30 -1.38626421e-31]
 [-8.77967333e-31 -1.33427930e-30 -3.61583915e-30]
 [-1.34294345e-30  2.77252842e-31 -3.43389197e-30]]
stress =  [6.92761889e-10 6.92761889e-10 6.92761889e-10 4.25414767e-26
 1.94894397e-34 7.26937282e-51]
energy per atom =  -1.7736841753799706
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0