element(s):
['Ni']
AFLOW prototype label:
A_hP2_194_c
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:
['2.582', '1.5943455']
model name:
EAM_Dynamo_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.582, 0, 0], [-1.291, 2.2360775925714, 0], [0, 0, 4.1166]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:03:20       -8.741164        1.3197
BFGS:    1 15:03:20       -8.790254        1.0269
BFGS:    2 15:03:20       -8.856823        0.1609
BFGS:    3 15:03:20       -8.858836        0.0535
BFGS:    4 15:03:20       -8.858881        0.0483
BFGS:    5 15:03:20       -8.859120        0.0062
BFGS:    6 15:03:20       -8.859123        0.0008
BFGS:    7 15:03:20       -8.859123        0.0000
BFGS:    8 15:03:20       -8.859123        0.0000
BFGS:    9 15:03:20       -8.859123        0.0000
Minimization converged after 9 steps.
Maximum force component: 3.30324378546548e-32 eV/Angstrom
Maximum stress component: 7.272406030137912e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.4831481597609457, -9.590598452018024e-18, 5.805564522256239e-37], [-1.2415740798804729, 2.1504693877135583, 3.2811126950281408e-37], [3.4501874339616347e-36, -1.0715663951422182e-36, 4.019864608651665]])
forces =  [[ 2.67812686e-32 -1.10444090e-32  3.30324379e-32]
 [-2.67812686e-32  1.10444090e-32 -3.30324379e-32]]
stress =  [6.82026325e-11 6.82026325e-11 7.27240603e-11 2.37642722e-34
 4.11609269e-34 3.63214381e-27]
energy per atom =  -4.429561463601117
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0