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_EAMCD_StukowskiSadighErhart_2009_FeCr__SM_775564499513_000
==== 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 17:12:39      -81.919133         1.703750
BFGS:    1 17:12:40      -82.041668         1.653009
BFGS:    2 17:12:40      -82.281842         1.549870
BFGS:    3 17:12:41      -82.506622         1.447553
BFGS:    4 17:12:41      -82.716170         1.346911
BFGS:    5 17:12:42      -82.910639         1.247462
BFGS:    6 17:12:44      -83.090252         1.148135
BFGS:    7 17:12:45      -83.255151         1.050661
BFGS:    8 17:12:45      -83.405502         0.954323
BFGS:    9 17:12:46      -83.541518         0.859364
BFGS:   10 17:12:47      -83.663314         0.764715
BFGS:   11 17:12:47      -83.771134         0.672318
BFGS:   12 17:12:48      -83.865126         0.581114
BFGS:   13 17:12:48      -83.945512         0.490621
BFGS:   14 17:12:49      -84.012424         0.401101
BFGS:   15 17:12:49      -84.066128         0.314296
BFGS:   16 17:12:49      -84.106813         0.229018
BFGS:   17 17:12:50      -84.134709         0.143383
BFGS:   18 17:12:50      -84.150012         0.060354
BFGS:   19 17:12:50      -84.153356         0.000537
BFGS:   20 17:12:51      -84.153356         0.000050
BFGS:   21 17:12:51      -84.153356         0.000000
BFGS:   22 17:12:52      -84.153356         0.000000
Minimization converged after 22 steps.
Maximum force component: 7.671299624251962e-31 eV/Angstrom
Maximum stress component: 5.3348581777709475e-12 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 3.59227181e-37 1.00000000e+00]
 [1.00000000e+00 3.63089265e-33 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([[6.789488342025489, 1.5996306020037044e-34, -9.159201386900785e-33], [1.6762994527309237e-33, 6.789488342025489, -1.3257629143815362e-17], [9.138065481544342e-33, -1.3257629143815383e-17, 6.789488342025489]])
forces =  [[ 4.18434525e-32 -1.39478175e-31  6.27651787e-32]
 [-3.48695437e-31  4.60277977e-31  2.03986831e-31]
 [-2.37112897e-31  5.57912700e-32  2.51060715e-31]
 [ 1.95269445e-31 -2.78956350e-31  2.78956350e-32]
 [-1.26402096e-31 -7.67129962e-31  2.37112897e-31]
 [ 9.76416486e-65  1.67373810e-31  4.18434525e-32]
 [ 8.36869050e-32  2.51060715e-31  6.97390875e-32]
 [-6.97390875e-33 -1.04608631e-31  2.04266120e-49]
 [ 3.62643255e-31  6.13703970e-31  2.30138989e-31]
 [ 8.01999506e-32  1.11582540e-31  9.76347225e-32]
 [-1.04608631e-31 -4.46330160e-31  2.65008532e-31]
 [-1.25530357e-31  1.67373810e-31  1.67373810e-31]
 [ 2.78956350e-32 -1.39478175e-32  2.26652034e-32]
 [ 4.18434525e-32 -5.71860517e-31  4.10153008e-31]
 [-9.76347225e-32 -1.95269445e-31 -2.92904167e-31]
 [ 5.57912700e-32 -1.32504266e-31  4.18434525e-32]
 [ 8.36869050e-32 -1.11582540e-31  3.48695437e-32]
 [ 5.57912700e-32 -9.76347225e-32 -4.18434525e-32]
 [-6.97390875e-32  2.78956350e-32 -2.78956350e-32]
 [-8.36869050e-32  6.97390875e-32 -8.36869050e-32]
 [-1.39478175e-32 -8.36869050e-32  5.57912700e-32]
 [-5.23043156e-32 -1.39478175e-32 -5.57912700e-32]
 [-1.95269445e-31 -2.47573761e-31 -1.18556449e-31]
 [-8.36869050e-32  5.23043156e-32 -2.78956350e-32]]
stress =  [-5.33485818e-12 -5.33485818e-12 -5.33485818e-12 -7.09818366e-30
  1.69537818e-60  1.47052538e-61]
energy per atom =  -3.4799054562514606
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0