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 14:50:57      -81.919133        1.7037
BFGS:    1 14:50:58      -82.041668        1.6530
BFGS:    2 14:50:58      -82.281842        1.5499
BFGS:    3 14:50:58      -82.506622        1.4476
BFGS:    4 14:50:58      -82.716170        1.3469
BFGS:    5 14:50:58      -82.910639        1.2475
BFGS:    6 14:50:58      -83.090252        1.1481
BFGS:    7 14:50:58      -83.255151        1.0507
BFGS:    8 14:50:58      -83.405502        0.9543
BFGS:    9 14:50:58      -83.541518        0.8594
BFGS:   10 14:50:58      -83.663314        0.7647
BFGS:   11 14:50:58      -83.771134        0.6723
BFGS:   12 14:50:58      -83.865126        0.5811
BFGS:   13 14:50:58      -83.945512        0.4906
BFGS:   14 14:50:58      -84.012424        0.4011
BFGS:   15 14:50:58      -84.066128        0.3143
BFGS:   16 14:50:58      -84.106813        0.2290
BFGS:   17 14:50:58      -84.134709        0.1434
BFGS:   18 14:50:58      -84.150012        0.0604
BFGS:   19 14:50:58      -84.153356        0.0005
BFGS:   20 14:50:58      -84.153356        0.0000
BFGS:   21 14:50:58      -84.153356        0.0000
BFGS:   22 14:50:58      -84.153356        0.0000
Minimization converged after 22 steps.
Maximum force component: 4.393562512071579e-31 eV/Angstrom
Maximum stress component: 5.3343120824387065e-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 5.77054942e-34 1.00000000e+00]
 [1.00000000e+00 0.00000000e+00 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([[6.78948834202549, -3.694753130814585e-32, 9.466585757223122e-34], [3.976316313245354e-33, 6.78948834202549, 7.989051069331669e-18], [2.4913139964226507e-32, 7.989051069331685e-18, 6.78948834202549]])
forces =  [[-6.97390875e-33  8.36869050e-32 -2.78956350e-32]
 [ 5.57912700e-32 -2.44086806e-31  3.17312848e-31]
 [ 1.11582540e-31  1.18556449e-31  9.76347225e-32]
 [-1.11582540e-31  2.44086806e-31  1.39478175e-32]
 [-5.05608384e-32 -1.15069494e-31  3.52182392e-31]
 [ 2.92904167e-31  6.97390875e-32  1.25530357e-31]
 [-6.97390875e-32 -2.65008532e-31 -2.65008532e-31]
 [ 3.13825894e-32 -9.48015721e-33 -2.39728113e-33]
 [ 4.18434525e-32  3.48695437e-31  2.09217262e-31]
 [ 2.40599852e-31  1.39478175e-31  1.18556449e-31]
 [-1.13326017e-31 -6.97390875e-32  2.37112897e-31]
 [ 1.53425992e-31  1.67373810e-31  5.23043156e-32]
 [-5.57912700e-32  6.97390875e-32 -3.48695437e-33]
 [-7.32260419e-32 -3.31260666e-32 -2.78956350e-32]
 [-1.67373810e-31  9.76347225e-32 -1.53425992e-31]
 [-1.39478175e-32  1.04608631e-31 -1.39478175e-32]
 [-1.53425992e-31 -2.65008532e-31  9.76347225e-32]
 [-5.57912700e-32 -5.57912700e-32 -5.57912700e-32]
 [-1.67373810e-31 -8.36869050e-32  1.25530357e-31]
 [-1.53425992e-31 -3.76591072e-31 -2.99878076e-31]
 [ 1.39478175e-32 -1.18556449e-31 -6.97390875e-32]
 [ 1.88295536e-31  4.39356251e-31  1.60399901e-31]
 [-4.49448172e-64  6.27651787e-32 -1.32504266e-31]
 [ 6.97390875e-32  1.25530357e-31 -4.88173612e-32]]
stress =  [-5.33431208e-12 -5.33431208e-12 -5.33431208e-12  5.21124654e-28
 -3.15777226e-59  7.66053351e-61]
energy per atom =  -3.4799054562514597
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0