element(s):
['Fe', 'Ni']
AFLOW prototype label:
AB3_tI8_139_a_bd
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6204', '1.9276323']
model name:
MEAM_LAMMPS_ChoiJoSohn_2018_CoNiCrFeMn__MO_115454747503_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Ni', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.   0.   0.5 ]
 [0.   0.5  0.25]]
spacegroup =  139
cell =  [[3.6204, 0, 0], [0, 3.6204, 0], [0, 0, 6.9788]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 20:40:55      -35.688256         0.384325
BFGS:    1 20:40:55      -35.692701         0.368919
BFGS:    2 20:40:56      -35.726444         0.225944
BFGS:    3 20:40:56      -35.747720         0.291081
BFGS:    4 20:40:57      -35.756983         0.345879
BFGS:    5 20:40:58      -35.759224         0.342373
BFGS:    6 20:40:58      -35.768447         0.286695
BFGS:    7 20:40:59      -35.776522         0.201099
BFGS:    8 20:41:00      -35.783123         0.090379
BFGS:    9 20:41:00      -35.785440         0.023278
BFGS:   10 20:41:01      -35.785593         0.004414
BFGS:   11 20:41:01      -35.785607         0.000745
BFGS:   12 20:41:02      -35.785607         0.000064
BFGS:   13 20:41:02      -35.785607         0.000002
BFGS:   14 20:41:03      -35.785607         0.000000
BFGS:   15 20:41:03      -35.785607         0.000000
Minimization converged after 15 steps.
Maximum force component: 8.324452839932524e-32 eV/Angstrom
Maximum stress component: 2.473462480015796e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [1.12259167e-70 1.09026145e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.67347744e-35]
 [6.01862291e-36 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 5.45130726e-35 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[3.532968979614053, -2.6095999287431606e-36, 6.255163382338343e-32], [-3.637734357572207e-36, 3.532968979614053, -1.811522725554615e-18], [-7.064380357443017e-33, -3.889777952472903e-18, 7.203838388300495]])
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]
 [ 4.35472048e-32 -4.35472048e-32  2.23287415e-50]
 [-4.48385378e-68  4.35472048e-32 -2.23287415e-50]
 [ 2.17736024e-32  2.17736024e-32  5.54963523e-32]
 [ 6.53208072e-32 -4.35472048e-32  8.32445284e-32]]
stress =  [-2.69166039e-12 -2.69166039e-12 -2.47346248e-11  5.85884102e-27
 -6.05378073e-35  1.39667713e-50]
energy per atom =  -4.473200851244265
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0