element(s):
['Fe']
AFLOW prototype label:
A_tP1_123_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.2256', '1.0359004']
model name:
EAM_Dynamo_MendelevBorovikov_2020_FeNiCr__MO_922363340570_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0 0 0]]
spacegroup =  123
cell =  [[2.2256, 0, 0], [0, 2.2256, 0], [0, 0, 2.3055]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:39:58       -3.340630         1.738849
BFGS:    1 16:39:58       -3.393121         0.460076
BFGS:    2 16:39:58       -3.398621         0.170699
BFGS:    3 16:39:58       -3.399713         0.041588
BFGS:    4 16:39:58       -3.399795         0.008436
BFGS:    5 16:39:58       -3.399798         0.005810
BFGS:    6 16:39:58       -3.399799         0.003261
BFGS:    7 16:39:58       -3.399799         0.000468
BFGS:    8 16:39:58       -3.399799         0.000094
BFGS:    9 16:39:58       -3.399799         0.000008
BFGS:   10 16:39:58       -3.399799         0.000000
BFGS:   11 16:39:58       -3.399799         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.5461847704890607e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.317031330946605, 6.408832161323651e-35, -1.0158390234576147e-36], [-4.1297637111961047e-35, 2.317031330946605, 4.802938307817677e-20], [2.6801142796830062e-33, 4.909968809670495e-20, 2.317031331938771]])
forces =  [[0. 0. 0.]]
stress =  [-3.92048254e-10 -3.92048254e-10  4.54618477e-10 -5.49813167e-26
  2.19053875e-39 -4.01036104e-55]
energy per atom =  -3.39979924726259
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_tP1_123_a, while relaxed is A_cP1_221_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.