element(s):
['Fe', 'Ni']
AFLOW prototype label:
A3B_cF16_225_ac_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.8545']
model name:
EAM_Dynamo_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Fe', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]
 [0.5  0.5  0.5 ]]
spacegroup =  225
cell =  [[5.8545, 0, 0], [0, 5.8545, 0], [0, 0, 5.8545]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:24:40      -64.677061         1.307728
BFGS:    1 10:24:40      -64.749616         1.281342
BFGS:    2 10:24:40      -64.936431         1.209144
BFGS:    3 10:24:41      -65.112243         1.134627
BFGS:    4 10:24:41      -65.276704         1.057810
BFGS:    5 10:24:41      -65.429470         0.978705
BFGS:    6 10:24:41      -65.570116         0.895470
BFGS:    7 10:24:41      -65.697777         0.805580
BFGS:    8 10:24:41      -65.811457         0.709052
BFGS:    9 10:24:41      -65.910163         0.605911
BFGS:   10 10:24:41      -65.992904         0.496205
BFGS:   11 10:24:41      -66.058697         0.379966
BFGS:   12 10:24:42      -66.106591         0.257637
BFGS:   13 10:24:42      -66.135696         0.129463
BFGS:   14 10:24:42      -66.145139         0.004523
BFGS:   15 10:24:42      -66.145150         0.000092
BFGS:   16 10:24:43      -66.145150         0.000000
BFGS:   17 10:24:43      -66.145150         0.000000
Minimization converged after 17 steps.
Maximum force component: 2.604796663020961e-30 eV/Angstrom
Maximum stress component: 1.7343902807543242e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', '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 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [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]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 9.75651019e-49 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [1.21956377e-49 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[5.610430391534461, -1.9130939645254758e-32, 2.0273401922582605e-32], [-2.853820011727421e-32, 5.610430391534461, 8.299379496069558e-18], [-1.1828470375446143e-32, 8.29937949606957e-18, 5.610430391534461]])
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]
 [ 4.84077256e-31  1.26782138e-30 -8.39931667e-31]
 [-4.49500309e-31 -1.62223509e-30 -3.14073934e-31]
 [ 6.62724815e-31  5.07128554e-31  1.61359085e-30]
 [-4.37974660e-31 -1.46952024e-30  2.60479666e-30]
 [ 2.30512979e-31  5.99333745e-31 -3.22718171e-31]
 [ 6.22385043e-31 -3.02548285e-32  7.37641533e-31]
 [-1.61359085e-31  1.27502492e-31 -1.57901391e-30]
 [ 8.12558251e-31  1.24477009e-30 -8.58660847e-31]
 [ 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]]
stress =  [-1.73439028e-14 -1.73439028e-14 -1.73439028e-14 -6.16661529e-31
  2.61057902e-34  7.94561772e-53]
energy per atom =  -4.124958847767533
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0