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:
EAM_Dynamo_ZhouFosterSills_2018_FeNiCr__MO_036303866285_000
==== 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 09:16:04      -34.876038        0.2113
BFGS:    1 09:16:04      -34.877672        0.2052
BFGS:    2 09:16:04      -34.900646        0.2143
BFGS:    3 09:16:04      -34.915373        0.2592
BFGS:    4 09:16:04      -34.922013        0.2930
BFGS:    5 09:16:04      -34.923965        0.2853
BFGS:    6 09:16:04      -34.930855        0.2301
BFGS:    7 09:16:04      -34.937221        0.1491
BFGS:    8 09:16:04      -34.941799        0.0515
BFGS:    9 09:16:04      -34.942447        0.0114
BFGS:   10 09:16:04      -34.942500        0.0019
BFGS:   11 09:16:04      -34.942503        0.0004
BFGS:   12 09:16:04      -34.942503        0.0000
BFGS:   13 09:16:04      -34.942503        0.0000
BFGS:   14 09:16:04      -34.942503        0.0000
Minimization converged after 14 steps.
Maximum force component: 5.857490218750574e-31 eV/Angstrom
Maximum stress component: 6.531911127881115e-10 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 1.74233987e-33 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 8.71169935e-34 2.50000000e-01]
 [1.59729128e-35 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[3.5371834919672516, -1.0305819402725851e-36, -1.7024787901891063e-32], [5.0839851064953195e-37, 3.537183491967253, 2.3882317253363243e-17], [3.1947889387940316e-34, 4.8039090345010545e-17, 7.241387633742163]])
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]
 [ 2.17995763e-32 -4.35991527e-32 -4.46284969e-31]
 [ 3.93944802e-66  1.08997882e-32  8.92569938e-32]
 [ 2.58454799e-65  2.17995763e-32  5.85749022e-31]
 [ 2.17995763e-32 -3.26993645e-32  8.36784317e-32]]
stress =  [ 5.84477132e-10  5.84477132e-10 -6.53191113e-10  7.59430123e-26
  1.80456422e-34 -2.09806962e-50]
energy per atom =  -4.367812881007596
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0