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:
EAM_Dynamo_MendelevBorovikov_2020_FeNiCr__MO_922363340570_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 15:45:21      -13.716402        2.0559
BFGS:    1 15:45:21      -13.875810        1.5647
BFGS:    2 15:45:21      -14.053314        0.8415
BFGS:    3 15:45:21      -14.147241        0.4973
BFGS:    4 15:45:21      -14.234114        0.7798
BFGS:    5 15:45:21      -14.416307        1.7518
BFGS:    6 15:45:21      -14.778775        3.0867
BFGS:    7 15:45:21      -15.309370        3.7319
BFGS:    8 15:45:21      -15.819299        2.8657
BFGS:    9 15:45:21      -16.128116        1.1732
BFGS:   10 15:45:21      -16.181712        0.1399
BFGS:   11 15:45:21      -16.182500        0.0021
BFGS:   12 15:45:21      -16.182500        0.0000
BFGS:   13 15:45:21      -16.182500        0.0000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.499974668689292e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Fe']
basis =  [[3.63815868e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.04810126e-34]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.761395951128509, -2.3481261892131936e-32, 5.185137388476703e-33], [-2.1939249531986547e-32, 3.761395951128509, 3.486394197647681e-18], [-1.448653060241743e-32, 3.48639419764769e-18, 3.761395951128509]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.49997467e-11 -4.49997467e-11 -4.49997467e-11  4.10771030e-27
 -2.91314391e-60 -3.94671044e-59]
energy per atom =  -4.045625084266729
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0