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_WuLeeSu_2017_NiCrFe__MO_912636107108_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 09:16:18      -35.688305        0.3842
BFGS:    1 09:16:18      -35.692747        0.3688
BFGS:    2 09:16:18      -35.726471        0.2258
BFGS:    3 09:16:18      -35.747728        0.2911
BFGS:    4 09:16:18      -35.756974        0.3459
BFGS:    5 09:16:18      -35.759212        0.3424
BFGS:    6 09:16:18      -35.768463        0.2865
BFGS:    7 09:16:18      -35.776547        0.2009
BFGS:    8 09:16:18      -35.783134        0.0900
BFGS:    9 09:16:18      -35.785439        0.0232
BFGS:   10 09:16:18      -35.785590        0.0044
BFGS:   11 09:16:18      -35.785604        0.0007
BFGS:   12 09:16:18      -35.785604        0.0001
BFGS:   13 09:16:18      -35.785604        0.0000
BFGS:   14 09:16:18      -35.785604        0.0000
BFGS:   15 09:16:18      -35.785604        0.0000
Minimization converged after 15 steps.
Maximum force component: 2.663815816295951e-31 eV/Angstrom
Maximum stress component: 2.471511812570345e-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]
 [1.23690928e-49 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 4.27757851e-34]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 2.50000000e-01]
 [6.11459053e-34 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[3.5329755852727938, 6.8883090985215195e-37, -3.417424321099498e-32], [-4.112882021612108e-37, 3.5329755852727946, 2.064742694940214e-17], [-1.2573941835740562e-35, 4.0562625084309406e-17, 7.203813799306695]])
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]
 [-1.54985799e-67  4.99972955e-49  8.87938605e-32]
 [-1.08868216e-32  9.99945911e-49  1.77587721e-31]
 [-4.64957397e-67  1.49991887e-48  2.66381582e-31]
 [ 5.44341078e-33 -1.09369084e-48 -1.94236570e-31]]
stress =  [-2.65000134e-12 -2.65000134e-12 -2.47151181e-11  2.48693683e-27
  1.74730305e-46 -1.86211453e-62]
energy per atom =  -4.473200506684237
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0