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_WuLeeSu_2017_NiCrFe__MO_912636107108_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 15:00:52      -12.265513         2.827609
BFGS:    1 15:00:52      -12.609256         2.842926
BFGS:    2 15:00:52      -13.035706         2.838372
BFGS:    3 15:00:52      -13.459221         2.802857
BFGS:    4 15:00:52      -13.874726         2.730564
BFGS:    5 15:00:52      -14.276914         2.705919
BFGS:    6 15:00:52      -14.676360         2.495207
BFGS:    7 15:00:52      -15.029527         2.228277
BFGS:    8 15:00:52      -15.342724         1.935557
BFGS:    9 15:00:52      -15.606290         1.564697
BFGS:   10 15:00:52      -15.807647         1.104060
BFGS:   11 15:00:52      -15.932365         0.540511
BFGS:   12 15:00:52      -15.964687         0.110412
BFGS:   13 15:00:52      -15.965926         0.008238
BFGS:   14 15:00:52      -15.965933         0.000113
BFGS:   15 15:00:52      -15.965933         0.000000
BFGS:   16 15:00:52      -15.965933         0.000000
Minimization converged after 16 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1955937542386937e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Fe']
basis =  [[1.08283568e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.24057250e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.6333394932592893, -4.245097792213592e-32, 9.369685216613333e-34], [-2.3038606702936952e-33, 3.6333394932592893, -2.5587972470147776e-17], [-3.293972710448747e-32, -2.5587972470147733e-17, 3.6333394932592893]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.19559375e-13  1.19559375e-13  1.19559375e-13  7.82051314e-30
 -3.78625585e-61 -1.32260352e-61]
energy per atom =  -3.9914833534202088
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0