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 16:54:20      -35.688256         0.384325
BFGS:    1 16:54:20      -35.692701         0.368919
BFGS:    2 16:54:20      -35.726444         0.225944
BFGS:    3 16:54:21      -35.747720         0.291081
BFGS:    4 16:54:21      -35.756983         0.345879
BFGS:    5 16:54:21      -35.759224         0.342373
BFGS:    6 16:54:21      -35.768447         0.286695
BFGS:    7 16:54:21      -35.776522         0.201099
BFGS:    8 16:54:21      -35.783123         0.090379
BFGS:    9 16:54:21      -35.785440         0.023278
BFGS:   10 16:54:21      -35.785593         0.004414
BFGS:   11 16:54:21      -35.785607         0.000745
BFGS:   12 16:54:21      -35.785607         0.000064
BFGS:   13 16:54:21      -35.785607         0.000002
BFGS:   14 16:54:21      -35.785607         0.000000
BFGS:   15 16:54:21      -35.785607         0.000000
Minimization converged after 15 steps.
Maximum force component: 5.327649817556818e-31 eV/Angstrom
Maximum stress component: 2.4734076586829413e-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]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.13878196e-34]
 [9.40395481e-37 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 2.50000000e-01]
 [1.50463277e-36 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[3.532968979614053, -1.711908660471167e-36, 6.905172769268047e-32], [-1.9345091109199483e-36, 3.532968979614053, -2.2507531541566484e-17], [3.7283480777794873e-35, -4.425884441990123e-17, 7.203838388300498]])
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]
 [ 2.17736024e-32  2.18212950e-48 -3.55176655e-31]
 [ 2.17736024e-32  3.27319426e-48 -5.32764982e-31]
 [ 2.17736024e-32 -9.54681658e-49  1.55389786e-31]
 [ 2.17736024e-32 -2.06279430e-48  3.35752931e-31]]
stress =  [-2.69148261e-12 -2.69148261e-12 -2.47340766e-11  1.07189646e-26
 -3.02689037e-35  1.33109241e-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