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_PunMishin_2009_NiAl__MO_751354403791_005
==== 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       -8.767204        1.0473
BFGS:    1 15:03:20       -8.798036        0.8711
BFGS:    2 15:03:20       -8.852964        0.1567
BFGS:    3 15:03:20       -8.854393        0.1494
BFGS:    4 15:03:20       -8.854704        0.1289
BFGS:    5 15:03:20       -8.855736        0.0022
BFGS:    6 15:03:20       -8.855737        0.0000
BFGS:    7 15:03:20       -8.855737        0.0000
BFGS:    8 15:03:20       -8.855737        0.0000
BFGS:    9 15:03:20       -8.855737        0.0000
Minimization converged after 9 steps.
Maximum force component: 1.7207796281557414e-32 eV/Angstrom
Maximum stress component: 1.0831115675659674e-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([[2.4818885159732735, -1.189976837963156e-19, -4.8687302139851756e-36], [-1.2409442579866368, 2.1493785041937157, 4.101708500503998e-36], [-5.5179741529415195e-36, -4.1356490164647804e-35, 4.104809008143729]])
forces =  [[ 1.72077963e-32 -1.21426871e-32 -4.31760805e-68]
 [ 3.82395473e-33  1.10388065e-32  1.06169754e-69]]
stress =  [ 6.62237439e-11  6.62237439e-11  1.08311157e-10 -3.25980325e-33
 -8.06592123e-34 -1.61667525e-26]
energy per atom =  -4.405321834626453
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0