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_BelandTammMu_2017_FeNiCr__MO_715003088863_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 09:25:32      -11.566776         3.091795
BFGS:    1 09:25:32      -11.965294         2.918013
BFGS:    2 09:25:32      -12.389178         2.742929
BFGS:    3 09:25:32      -12.789428         2.596072
BFGS:    4 09:25:32      -13.168731         2.463856
BFGS:    5 09:25:32      -13.529392         2.347758
BFGS:    6 09:25:32      -13.874205         2.255480
BFGS:    7 09:25:32      -14.208642         2.217354
BFGS:    8 09:25:32      -14.543392         2.247341
BFGS:    9 09:25:32      -14.875668         2.142645
BFGS:   10 09:25:32      -15.171634         1.757859
BFGS:   11 09:25:32      -15.391601         1.144475
BFGS:   12 09:25:32      -15.507532         0.387466
BFGS:   13 09:25:32      -15.521788         0.017452
BFGS:   14 09:25:32      -15.521816         0.000159
BFGS:   15 09:25:32      -15.521816         0.000000
BFGS:   16 09:25:32      -15.521816         0.000000
Minimization converged after 16 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.295224033693645e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Fe']
basis =  [[7.61715454e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.68004800e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 4.02007200e-35]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.5930885311825214, -3.8152980023994676e-33, 4.671838146121214e-33], [-2.6922570522364744e-32, 3.593088531182522, -8.301134017685911e-19], [-4.649665513033939e-33, -8.30113401768593e-19, 3.5930885311825214]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.29522403e-14 -2.29522403e-14 -2.29522403e-14 -7.31094795e-33
 -6.36492608e-34 -6.68313195e-53]
energy per atom =  -3.8804540494108903
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0