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_PunYamakovMishin_2013_NiAlCo__MO_826591359508_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 15:03:22       -8.767204        1.0473
BFGS:    1 15:03:22       -8.798036        0.8711
BFGS:    2 15:03:22       -8.852964        0.1567
BFGS:    3 15:03:22       -8.854393        0.1494
BFGS:    4 15:03:22       -8.854704        0.1289
BFGS:    5 15:03:22       -8.855736        0.0022
BFGS:    6 15:03:22       -8.855737        0.0000
BFGS:    7 15:03:22       -8.855737        0.0000
BFGS:    8 15:03:22       -8.855737        0.0000
BFGS:    9 15:03:22       -8.855737        0.0000
Minimization converged after 9 steps.
Maximum force component: 3.5690244313440124e-32 eV/Angstrom
Maximum stress component: 1.0745638859622672e-10 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([[2.481888528067174, 4.5013586701457033e-17, -3.1875746753907282e-37], [-1.240944264033587, 2.1493785146673394, -7.62644264087877e-37], [1.0626372782329165e-36, -3.212699208395468e-35, 4.104809032924813]])
forces =  [[ 3.56902443e-32 -2.64931356e-32  6.78099023e-69]
 [-2.54930317e-32  8.83104521e-33 -5.14112686e-70]]
stress =  [6.54861368e-11 6.54861368e-11 1.07456389e-10 1.04779389e-33
 2.01648028e-34 2.08101841e-26]
energy per atom =  -4.4278682712741855
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0