element(s):
['Fe', 'Ni']
AFLOW prototype label:
AB_tP2_123_a_d
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:
['2.5968', '1.3704174']
model name:
EAM_Dynamo_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Ni']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  123
cell =  [[2.5968, 0, 0], [0, 2.5968, 0], [0, 0, 3.5587]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:52:11       -8.408445         1.564372
BFGS:    1 14:52:11       -8.505878         1.460070
BFGS:    2 14:52:11       -8.680286         0.858111
BFGS:    3 14:52:11       -8.688375         0.975119
BFGS:    4 14:52:11       -8.716326         0.189860
BFGS:    5 14:52:11       -8.717364         0.049537
BFGS:    6 14:52:11       -8.717401         0.022474
BFGS:    7 14:52:11       -8.717417         0.018198
BFGS:    8 14:52:11       -8.717503         0.027956
BFGS:    9 14:52:11       -8.717548         0.019859
BFGS:   10 14:52:11       -8.717565         0.005901
BFGS:   11 14:52:11       -8.717566         0.000933
BFGS:   12 14:52:11       -8.717566         0.000034
BFGS:   13 14:52:11       -8.717566         0.000004
BFGS:   14 14:52:11       -8.717566         0.000000
BFGS:   15 14:52:11       -8.717566         0.000000
Minimization converged after 15 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.4769381277546217e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.4733095621199324, 1.668171691622675e-35, 4.638887852997267e-33], [-3.9394110768709385e-36, 2.4733095621199324, -1.340981862924877e-17], [-1.164414851007003e-33, -1.856236536902552e-17, 3.3736144422270833]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [8.58964506e-11 8.58964506e-11 1.47693813e-10 1.02923987e-25
 9.23265384e-35 6.71195823e-50]
energy per atom =  -4.340557027568076
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0