element(s):
['Cr', 'Fe']
AFLOW prototype label:
A2B_cF24_227_c_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.5412']
model name:
Sim_LAMMPS_EAM_BonnyCastinBullens_2013_FeCrW__SM_699257350704_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Fe']
representative atom coordinates =  [[0.125 0.125 0.125]
 [0.5   0.5   0.5  ]]
spacegroup =  227
cell =  [[6.5412, 0, 0], [0, 6.5412, 0], [0, 0, 6.5412]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:14:44      -87.527861         1.371414
BFGS:    1 16:14:44      -87.607380         1.334524
BFGS:    2 16:14:45      -87.800552         1.241320
BFGS:    3 16:14:45      -87.979843         1.149451
BFGS:    4 16:14:46      -88.145452         1.058884
BFGS:    5 16:14:46      -88.297572         0.969587
BFGS:    6 16:14:47      -88.436390         0.881529
BFGS:    7 16:14:47      -88.562091         0.794681
BFGS:    8 16:14:48      -88.674854         0.709014
BFGS:    9 16:14:49      -88.774853         0.624514
BFGS:   10 16:14:50      -88.862268         0.541213
BFGS:   11 16:14:50      -88.937276         0.459088
BFGS:   12 16:14:51      -89.000052         0.378113
BFGS:   13 16:14:51      -89.050766         0.298262
BFGS:   14 16:14:52      -89.089596         0.219744
BFGS:   15 16:14:52      -89.116751         0.142519
BFGS:   16 16:14:53      -89.132407         0.066412
BFGS:   17 16:14:53      -89.136803         0.000897
BFGS:   18 16:14:54      -89.136804         0.000006
BFGS:   19 16:14:54      -89.136804         0.000000
Minimization converged after 19 steps.
Maximum force component: 3.0565518277196644e-31 eV/Angstrom
Maximum stress component: 4.173378457294089e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe']
basis =  [[1.2500000e-01 1.2500000e-01 1.2500000e-01]
 [8.7500000e-01 3.7500000e-01 6.2500000e-01]
 [3.7500000e-01 6.2500000e-01 8.7500000e-01]
 [6.2500000e-01 8.7500000e-01 3.7500000e-01]
 [3.7500000e-01 8.7500000e-01 6.2500000e-01]
 [8.7500000e-01 6.2500000e-01 3.7500000e-01]
 [6.2500000e-01 3.7500000e-01 8.7500000e-01]
 [1.2500000e-01 6.2500000e-01 6.2500000e-01]
 [8.7500000e-01 8.7500000e-01 1.2500000e-01]
 [3.7500000e-01 1.2500000e-01 3.7500000e-01]
 [3.7500000e-01 3.7500000e-01 1.2500000e-01]
 [8.7500000e-01 1.2500000e-01 8.7500000e-01]
 [6.2500000e-01 1.2500000e-01 6.2500000e-01]
 [1.2500000e-01 8.7500000e-01 8.7500000e-01]
 [1.2500000e-01 3.7500000e-01 3.7500000e-01]
 [6.2500000e-01 6.2500000e-01 1.2500000e-01]
 [5.0000000e-01 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 1.9899687e-33 1.0000000e+00]
 [1.0000000e+00 0.0000000e+00 5.0000000e-01]
 [1.0000000e+00 5.0000000e-01 1.0000000e+00]
 [2.5000000e-01 7.5000000e-01 2.5000000e-01]
 [7.5000000e-01 7.5000000e-01 7.5000000e-01]
 [7.5000000e-01 2.5000000e-01 2.5000000e-01]
 [2.5000000e-01 2.5000000e-01 7.5000000e-01]]
cellpar =  Cell([[6.763007579410952, -5.50634216056042e-33, 2.2231858565881037e-33], [-4.305726578654872e-34, 6.763007579410952, -3.105213100905378e-18], [-2.2500239789435795e-33, -3.1052131009053744e-18, 6.763007579410952]])
forces =  [[-6.94670870e-32 -8.33605044e-32  1.38934174e-32]
 [ 2.77868348e-32 -4.16802522e-32  7.64137957e-32]
 [ 2.08401261e-32 -5.55736696e-32  2.11874615e-31]
 [-8.33605044e-32  2.77868348e-32 -1.11147339e-31]
 [-6.94670870e-32  6.25203783e-32  2.51818190e-32]
 [-5.55736696e-32 -8.33605044e-32  1.38934174e-32]
 [-1.25040757e-31 -1.80614426e-31  2.08401261e-32]
 [-6.94670870e-32 -3.47335435e-32 -8.68338587e-33]
 [-1.38934174e-31  5.55736696e-32 -2.55164710e-50]
 [-2.77868348e-32 -4.16802522e-32  2.77868348e-32]
 [ 3.05655183e-31  1.66721009e-31  6.94670870e-32]
 [ 2.77868348e-32 -5.55736696e-32  1.52827591e-31]
 [-5.55736696e-32 -2.77868348e-32 -4.16802522e-32]
 [-3.23706712e-65  2.36188096e-31  5.21003152e-32]
 [-8.33605044e-32 -5.55736696e-32 -6.94670870e-32]
 [-5.55736696e-32 -4.16802522e-32  2.77868348e-32]
 [ 2.08401261e-32 -5.55736696e-32  2.55164710e-50]
 [-2.60501576e-32  2.77868348e-32  1.30250788e-32]
 [-2.08401261e-32 -1.27582355e-50  2.77868348e-32]
 [-5.90470239e-32 -1.38934174e-32  4.16802522e-32]
 [ 6.99012563e-32 -3.13687315e-32  2.77868348e-32]
 [ 1.73667717e-33  2.17084647e-32 -2.17084647e-33]
 [ 5.21003152e-33 -6.07837011e-33 -2.08401261e-32]
 [-2.08401261e-32  1.56300946e-32 -7.59796264e-33]]
stress =  [-4.17337846e-11 -4.17337846e-11 -4.17337846e-11  4.72270580e-29
  5.61434988e-36 -9.62493406e-55]
energy per atom =  -3.7137432698876562
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0