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:
MEAM_LAMMPS_LeeShimPark_2001_FeCr__MO_150993986463_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 10:31:15      -12.346233         3.065698
BFGS:    1 10:31:16      -12.747443         3.038436
BFGS:    2 10:31:17      -13.199353         2.982262
BFGS:    3 10:31:17      -13.640576         2.895158
BFGS:    4 10:31:17      -14.066107         2.772161
BFGS:    5 10:31:17      -14.471898         2.733739
BFGS:    6 10:31:17      -14.864997         2.429657
BFGS:    7 10:31:17      -15.206353         2.131406
BFGS:    8 10:31:17      -15.502112         1.800827
BFGS:    9 10:31:17      -15.742999         1.398174
BFGS:   10 10:31:17      -15.917455         0.913290
BFGS:   11 10:31:17      -16.012306         0.334765
BFGS:   12 10:31:17      -16.025030         0.047735
BFGS:   13 10:31:17      -16.025277         0.002036
BFGS:   14 10:31:17      -16.025278         0.000012
BFGS:   15 10:31:17      -16.025278         0.000000
Minimization converged after 15 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.0228611987037655e-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 1.69053202e-33 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.645583598252207, 1.1727192332266362e-32, 9.600246492728517e-33], [-3.629985262778806e-32, 3.645583598252207, 3.827779127767127e-17], [6.165523893657367e-33, 3.8277791277671274e-17, 3.645583598252207]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.02286120e-10 -2.02286120e-10 -2.02286120e-10  3.52756844e-26
 -7.34129997e-59  1.42616049e-58]
energy per atom =  -4.006319377639001
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0