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_EAM_BonnyPasianotTerentyev_2011_FeCr__SM_237089298463_001
==== 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 02:57:56      -12.037506        3.6931
BFGS:    1 02:57:57      -12.577726        3.5041
BFGS:    2 02:57:57      -13.087365        3.2862
BFGS:    3 02:57:57      -13.562068        3.0387
BFGS:    4 02:57:57      -13.997476        2.7614
BFGS:    5 02:57:57      -14.388781        2.4501
BFGS:    6 02:57:57      -14.730615        2.1011
BFGS:    7 02:57:57      -15.017030        1.7104
BFGS:    8 02:57:57      -15.241415        1.2732
BFGS:    9 02:57:58      -15.396390        0.7840
BFGS:   10 02:57:58      -15.473736        0.2393
BFGS:   11 02:57:58      -15.481312        0.0101
BFGS:   12 02:57:58      -15.481325        0.0001
BFGS:   13 02:57:58      -15.481325        0.0000
BFGS:   14 02:57:58      -15.481325        0.0000
Minimization converged after 14 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3065910917112077e-14 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 1.25033868e-33 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.6967838631789505, 1.9541067260106764e-32, 2.5042480892984922e-33], [-2.4306977095386582e-32, 3.6967838631789505, 9.344658280199384e-18], [8.576129371532882e-33, 9.344658280199383e-18, 3.6967838631789505]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.30659109e-14 -1.30659109e-14 -1.30659109e-14  7.27288341e-31
  3.00642992e-34 -8.19224333e-50]
energy per atom =  -3.8700048564935146
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0