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_BonnyPasianotTerentyev_2011_FeCr__SM_237089298463_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 17:12:47      -87.527861         1.371414
BFGS:    1 17:12:48      -87.607380         1.334524
BFGS:    2 17:12:49      -87.800552         1.241320
BFGS:    3 17:12:50      -87.979843         1.149451
BFGS:    4 17:12:52      -88.145452         1.058884
BFGS:    5 17:12:53      -88.297572         0.969587
BFGS:    6 17:12:54      -88.436390         0.881529
BFGS:    7 17:12:55      -88.562091         0.794681
BFGS:    8 17:12:55      -88.674854         0.709014
BFGS:    9 17:12:56      -88.774853         0.624514
BFGS:   10 17:12:57      -88.862268         0.541213
BFGS:   11 17:12:59      -88.937276         0.459088
BFGS:   12 17:13:00      -89.000052         0.378113
BFGS:   13 17:13:01      -89.050766         0.298262
BFGS:   14 17:13:01      -89.089596         0.219744
BFGS:   15 17:13:03      -89.116751         0.142519
BFGS:   16 17:13:04      -89.132407         0.066412
BFGS:   17 17:13:05      -89.136803         0.000897
BFGS:   18 17:13:05      -89.136804         0.000006
BFGS:   19 17:13:06      -89.136804         0.000000
Minimization converged after 19 steps.
Maximum force component: 8.058182091260936e-31 eV/Angstrom
Maximum stress component: 4.173296048573461e-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 =  [[1.25000000e-01 1.25000000e-01 1.25000000e-01]
 [8.75000000e-01 3.75000000e-01 6.25000000e-01]
 [3.75000000e-01 6.25000000e-01 8.75000000e-01]
 [6.25000000e-01 8.75000000e-01 3.75000000e-01]
 [3.75000000e-01 8.75000000e-01 6.25000000e-01]
 [8.75000000e-01 6.25000000e-01 3.75000000e-01]
 [6.25000000e-01 3.75000000e-01 8.75000000e-01]
 [1.25000000e-01 6.25000000e-01 6.25000000e-01]
 [8.75000000e-01 8.75000000e-01 1.25000000e-01]
 [3.75000000e-01 1.25000000e-01 3.75000000e-01]
 [3.75000000e-01 3.75000000e-01 1.25000000e-01]
 [8.75000000e-01 1.25000000e-01 8.75000000e-01]
 [6.25000000e-01 1.25000000e-01 6.25000000e-01]
 [1.25000000e-01 8.75000000e-01 8.75000000e-01]
 [1.25000000e-01 3.75000000e-01 3.75000000e-01]
 [6.25000000e-01 6.25000000e-01 1.25000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 1.00000000e+00]
 [1.00000000e+00 1.49221671e-32 5.00000000e-01]
 [1.00000000e+00 5.00000000e-01 1.00000000e+00]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[6.763007579410954, 7.114183538831892e-33, -4.1302712970487396e-33], [1.1087690795872524e-32, 6.763007579410954, -1.0818215681322251e-17], [4.897248326926283e-33, -1.0818215681322258e-17, 6.763007579410954]])
forces =  [[-2.77868348e-32 -2.77868348e-32 -5.55736696e-32]
 [-3.05655183e-31 -7.50244540e-31  1.94507844e-31]
 [ 5.55736696e-31 -2.50081513e-31 -1.38934174e-31]
 [ 5.51978645e-64  3.61228852e-31 -5.55736696e-32]
 [-1.11147339e-31  4.02909105e-31 -4.44589357e-31]
 [-1.66721009e-31  5.55736696e-32  2.77868348e-32]
 [-2.22294678e-31 -2.22294678e-31  3.55586142e-49]
 [ 1.38934174e-31 -2.77868348e-32 -8.33605044e-32]
 [ 4.72376192e-31 -1.66721009e-31 -1.11147339e-31]
 [-3.05655183e-31  5.55736696e-32  5.55736696e-32]
 [ 1.66721009e-31  1.11147339e-31 -4.44589357e-31]
 [ 8.05818209e-31 -8.33605044e-32 -1.38934174e-31]
 [ 1.11147339e-31 -2.22294678e-31 -8.33605044e-32]
 [-1.38934174e-31  5.27949861e-31 -8.33605044e-32]
 [ 6.11310366e-31  4.16802522e-31  1.94507844e-31]
 [ 1.66721009e-31 -8.33605044e-32  1.33344803e-49]
 [-5.38369924e-32 -4.10289983e-32 -5.55736696e-32]
 [ 7.12037642e-32 -1.54564269e-31 -2.95235120e-32]
 [-1.75404395e-31  2.62238253e-31  2.08401261e-32]
 [-6.85987484e-32 -1.56409488e-31 -2.08401261e-32]
 [ 9.72539218e-32  1.52827591e-31 -1.38934174e-32]
 [ 8.33605044e-32  1.25040757e-31 -2.08401261e-32]
 [ 2.77868348e-32  1.38934174e-32  1.04200630e-32]
 [-2.08401261e-32 -1.94507844e-31  4.51536065e-32]]
stress =  [-4.17329605e-11 -4.17329605e-11 -4.17329605e-11  1.36269149e-28
 -2.24573995e-35 -8.72013037e-53]
energy per atom =  -3.7137432698876567
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0