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 10:31:16      -13.716402         2.055922
BFGS:    1 10:31:17      -13.875810         1.564670
BFGS:    2 10:31:18      -14.053314         0.841532
BFGS:    3 10:31:18      -14.147241         0.497287
BFGS:    4 10:31:18      -14.234114         0.779758
BFGS:    5 10:31:18      -14.416307         1.751772
BFGS:    6 10:31:18      -14.778775         3.086695
BFGS:    7 10:31:18      -15.309370         3.731863
BFGS:    8 10:31:18      -15.819299         2.865707
BFGS:    9 10:31:18      -16.128116         1.173180
BFGS:   10 10:31:18      -16.181712         0.139915
BFGS:   11 10:31:18      -16.182500         0.002100
BFGS:   12 10:31:18      -16.182500         0.000010
BFGS:   13 10:31:18      -16.182500         0.000000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.499980301521772e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Fe']
basis =  [[0.0000000e+00 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 0.0000000e+00 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 3.5841772e-34]
 [0.0000000e+00 0.0000000e+00 0.0000000e+00]]
cellpar =  Cell([[3.761395951128509, -1.3002425550980308e-32, -1.1573789673646156e-32], [-1.3753895818000206e-32, 3.761395951128509, -1.3887223124373791e-18], [-5.785074843572502e-33, -1.3887223124373758e-18, 3.761395951128509]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.49998030e-11 -4.49998030e-11 -4.49998030e-11 -6.15808042e-27
 -4.53754688e-35 -2.79193339e-51]
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