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 16:51:54      -87.527861         1.371414
BFGS:    1 16:51:55      -87.607380         1.334524
BFGS:    2 16:51:57      -87.800552         1.241320
BFGS:    3 16:51:58      -87.979843         1.149451
BFGS:    4 16:52:00      -88.145452         1.058884
BFGS:    5 16:52:02      -88.297572         0.969587
BFGS:    6 16:52:04      -88.436390         0.881529
BFGS:    7 16:52:06      -88.562091         0.794681
BFGS:    8 16:52:08      -88.674854         0.709014
BFGS:    9 16:52:10      -88.774853         0.624514
BFGS:   10 16:52:13      -88.862268         0.541213
BFGS:   11 16:52:16      -88.937276         0.459088
BFGS:   12 16:52:18      -89.000052         0.378113
BFGS:   13 16:52:20      -89.050766         0.298262
BFGS:   14 16:52:22      -89.089596         0.219744
BFGS:   15 16:52:24      -89.116751         0.142519
BFGS:   16 16:52:25      -89.132407         0.066412
BFGS:   17 16:52:27      -89.136803         0.000897
BFGS:   18 16:52:29      -89.136804         0.000006
BFGS:   19 16:52:31      -89.136804         0.000000
Minimization converged after 19 steps.
Maximum force component: 1.6672100878470896e-31 eV/Angstrom
Maximum stress component: 4.1734126791035506e-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 0.0000000e+00 1.0000000e+00]
 [1.0000000e+00 2.0503741e-33 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([[6.763007579410951, -1.0082742879247417e-32, -2.9523822712829343e-33], [9.13296353985288e-34, 6.763007579410951, 1.1965602294862387e-17], [-1.803204593021211e-34, 1.1965602294862384e-17, 6.763007579410951]])
forces =  [[-1.11131063e-66  7.37437176e-50  4.16802522e-32]
 [-1.38934174e-31  1.04200630e-31 -5.55736696e-32]
 [-2.77868348e-32  1.11147339e-31  5.55736696e-32]
 [ 1.38934174e-32  4.16802522e-32  8.33605044e-32]
 [ 3.99435750e-32 -5.55736696e-32  1.01595615e-31]
 [ 9.35701552e-66  5.55736696e-32 -6.94670870e-32]
 [ 8.33605044e-32  6.25203783e-32 -3.47335435e-32]
 [ 6.94670870e-33 -4.51536065e-32  7.64137957e-32]
 [ 1.38934174e-31 -4.16802522e-32  1.11147339e-31]
 [-4.86269609e-32  5.55736696e-32 -5.55736696e-32]
 [ 1.31987465e-31 -6.25203783e-32  6.94670870e-33]
 [-2.77868348e-32  1.66721009e-31  6.59937326e-32]
 [ 4.51536065e-32 -5.55736696e-32  4.86269609e-32]
 [ 6.25203783e-32  1.11147339e-31  5.21003152e-32]
 [-2.77868348e-32 -1.52827591e-31 -2.77868348e-32]
 [ 6.94670870e-33  2.08401261e-32  5.55736696e-32]
 [-3.47335435e-32 -1.38934174e-31 -4.16802522e-32]
 [-4.16802522e-32  4.86269609e-32 -4.86269609e-32]
 [ 1.38934174e-32  4.16802522e-32  2.77868348e-32]
 [-7.98871500e-32  6.25203783e-32  6.94670870e-33]
 [-3.47335435e-32  3.12601891e-32 -3.47335435e-32]
 [ 2.60501576e-32  1.73667717e-32  3.07265490e-50]
 [-2.34451419e-32  3.47335435e-33 -4.16802522e-32]
 [-1.38934174e-32 -5.73103468e-32 -9.03072131e-32]]
stress =  [-4.17341268e-11 -4.17341268e-11 -4.17341268e-11 -8.20913925e-28
 -2.49295727e-62 -6.95633463e-62]
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