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_EichBeinkeSchmitz_2015_FeCr__SM_731771351835_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 20:20:17      -81.972638        1.7804
BFGS:    1 20:20:17      -82.106557        1.7298
BFGS:    2 20:20:17      -82.358645        1.6317
BFGS:    3 20:20:17      -82.596142        1.5353
BFGS:    4 20:20:17      -82.819311        1.4406
BFGS:    5 20:20:17      -83.028415        1.3477
BFGS:    6 20:20:18      -83.223718        1.2566
BFGS:    7 20:20:18      -83.405480        1.1672
BFGS:    8 20:20:18      -83.573963        1.0795
BFGS:    9 20:20:18      -83.729430        0.9937
BFGS:   10 20:20:18      -83.872152        0.9096
BFGS:   11 20:20:18      -84.002404        0.8274
BFGS:   12 20:20:18      -84.120461        0.7470
BFGS:   13 20:20:18      -84.226599        0.6685
BFGS:   14 20:20:18      -84.321095        0.5918
BFGS:   15 20:20:18      -84.404248        0.5172
BFGS:   16 20:20:19      -84.476375        0.4448
BFGS:   17 20:20:19      -84.537788        0.3744
BFGS:   18 20:20:19      -84.588802        0.3061
BFGS:   19 20:20:19      -84.629731        0.2400
BFGS:   20 20:20:19      -84.660915        0.1763
BFGS:   21 20:20:19      -84.682733        0.1151
BFGS:   22 20:20:19      -84.695566        0.0565
BFGS:   23 20:20:19      -84.699788        0.0024
BFGS:   24 20:20:19      -84.699796        0.0001
BFGS:   25 20:20:19      -84.699796        0.0000
BFGS:   26 20:20:20      -84.699796        0.0000
Minimization converged after 26 steps.
Maximum force component: 4.783145847111885e-31 eV/Angstrom
Maximum stress component: 1.0047921165883075e-13 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 2.92488185e-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([[6.848027524597319, 1.010756397372321e-32, 4.6808001882539975e-33], [3.918334920178297e-33, 6.848027524597319, 1.0381437395114985e-17], [-2.7890977208475788e-33, 1.038143739511499e-17, 6.848027524597319]])
forces =  [[ 5.62723041e-32 -2.81361520e-32  1.68816912e-31]
 [-1.54748836e-31 -4.78314585e-31 -9.84765321e-32]
 [-1.12544608e-31 -7.03403801e-32  6.33063421e-32]
 [ 8.44084561e-32  1.06634246e-49  7.03403801e-32]
 [-2.81361520e-32  3.72804015e-31 -2.56742387e-31]
 [-2.81361520e-32  2.81361520e-32  7.03403801e-32]
 [-5.62723041e-32  1.82884988e-31  2.81361520e-32]
 [-3.51701901e-32  7.73744181e-32  1.23095665e-31]
 [ 2.39157292e-31  2.11021140e-31 -9.84765321e-32]
 [-2.18014580e-66  5.62723041e-32  8.44084561e-32]
 [-1.96953064e-31 -1.12544608e-31  1.40680760e-31]
 [-1.26612684e-31 -8.44084561e-32  2.81361520e-32]
 [-7.03403801e-32  7.03403801e-32  1.40680760e-31]
 [-4.92382661e-32 -1.33646722e-31  3.16531710e-31]
 [-1.26612684e-31 -1.40680760e-31 -1.40680760e-32]
 [ 8.44084561e-32  7.03403801e-32  1.68816912e-31]
 [-3.51701901e-32 -1.40680760e-32 -6.15478326e-33]
 [-7.03403801e-33 -7.03403801e-33 -1.40680760e-32]
 [ 1.91508552e-65  1.40680760e-32 -2.72568973e-32]
 [-2.11021140e-32  7.03403801e-33  3.86872091e-32]
 [ 1.58265855e-32  3.51701901e-33 -2.46191330e-32]
 [-2.72568973e-32  8.79254751e-34  7.03403801e-33]
 [ 1.05510570e-32 -1.75850950e-32 -1.05510570e-32]
 [-9.67180226e-33 -7.03403801e-32  4.96778934e-32]]
stress =  [-1.00479212e-13 -1.00479212e-13 -1.00479212e-13  7.93353063e-30
 -1.11026989e-62 -1.55058895e-62]
energy per atom =  -3.529158154392857
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0