element(s):
['Cr', 'Fe']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2505']
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.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[4.2505, 0, 0], [0, 4.2505, 0], [0, 0, 4.2505]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:44:59      -11.289627        4.5739
BFGS:    1 15:44:59      -11.970217        4.4702
BFGS:    2 15:44:59      -12.622441        4.1961
BFGS:    3 15:44:59      -13.220709        3.7521
BFGS:    4 15:44:59      -13.739982        3.1497
BFGS:    5 15:44:59      -14.165400        2.5251
BFGS:    6 15:44:59      -14.498819        1.9232
BFGS:    7 15:44:59      -14.743094        1.3354
BFGS:    8 15:44:59      -14.900437        0.7648
BFGS:    9 15:44:59      -14.973699        0.2195
BFGS:   10 15:44:59      -14.980626        0.0105
BFGS:   11 15:44:59      -14.980644        0.0015
BFGS:   12 15:44:59      -14.980644        0.0003
BFGS:   13 15:44:59      -14.980644        0.0000
BFGS:   14 15:44:59      -14.980644        0.0000
Minimization converged after 14 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0653187598175697e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Fe']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.02724003e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.7497174702188656, -6.961118338403905e-33, -1.1000590196236742e-33], [-2.4047372414391978e-32, 3.7497174702188656, -6.4181918673832284e-18], [9.844503205856097e-33, -6.418191867383231e-18, 3.7497174702188656]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [1.06531876e-10 1.06531876e-10 1.06531876e-10 4.79534070e-27
 2.61278503e-58 2.34533208e-59]
energy per atom =  -3.715409372090169
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0