element(s):
['Cr', 'Fe']
AFLOW prototype label:
AB3_cF16_225_a_bc
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.0773']
model name:
Sim_LAMMPS_EAMCD_StukowskiSadighErhart_2009_FeCr__SM_775564499513_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Fe', 'Fe']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[6.0773, 0, 0], [0, 6.0773, 0], [0, 0, 6.0773]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:16:22      -61.639011         1.763168
BFGS:    1 12:16:22      -61.771242         1.736649
BFGS:    2 12:16:22      -62.027788         1.683762
BFGS:    3 12:16:22      -62.276241         1.628649
BFGS:    4 12:16:22      -62.516290         1.571708
BFGS:    5 12:16:22      -62.747599         1.511734
BFGS:    6 12:16:22      -62.969448         1.445626
BFGS:    7 12:16:22      -63.180975         1.373755
BFGS:    8 12:16:23      -63.381332         1.296626
BFGS:    9 12:16:23      -63.569599         1.212644
BFGS:   10 12:16:23      -63.744700         1.121015
BFGS:   11 12:16:23      -63.905553         1.022451
BFGS:   12 12:16:23      -64.051070         0.916719
BFGS:   13 12:16:23      -64.180174         0.803809
BFGS:   14 12:16:23      -64.291771         0.683256
BFGS:   15 12:16:23      -64.384797         0.555931
BFGS:   16 12:16:23      -64.458191         0.421305
BFGS:   17 12:16:23      -64.510930         0.281279
BFGS:   18 12:16:23      -64.542367         0.137489
BFGS:   19 12:16:23      -64.552212         0.000339
BFGS:   20 12:16:23      -64.552212         0.000015
BFGS:   21 12:16:23      -64.552212         0.000000
BFGS:   22 12:16:23      -64.552212         0.000000
Minimization converged after 22 steps.
Maximum force component: 2.4646911621322744e-30 eV/Angstrom
Maximum stress component: 2.6057981891646996e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.19478957e-49 1.19478957e-49]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.726763802982382, -4.367287311524886e-33, 8.886072790392033e-33], [-8.509909465431538e-33, 5.726763802982382, 9.711517317711454e-18], [-8.9427386955324e-33, 9.711517317711476e-18, 5.726763802982382]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.99998806e-31  7.88230586e-31 -9.76464756e-31]
 [-7.57348418e-32 -1.25881601e-30 -6.41172641e-31]
 [ 6.58084305e-32  9.29406214e-31  2.46469116e-30]
 [-1.41175627e-31 -1.32940382e-30  5.05879332e-31]
 [ 9.41170850e-32  5.41173238e-31  1.43528555e-30]
 [ 4.73526584e-31 -1.09411111e-30  4.35291518e-31]
 [ 3.52939069e-31 -9.94111710e-31 -8.70583036e-31]
 [-1.75734245e-31  8.23524493e-31 -1.23804408e-30]]
stress =  [-2.60579819e-12 -2.60579819e-12 -2.60579819e-12  6.51726989e-31
 -4.69798829e-35 -1.08356181e-52]
energy per atom =  -4.024365136475295
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0