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_Mishin_2004_NiAl__MO_101214310689_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        0.1290
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: 3.3730451433166207e-32 eV/Angstrom
Maximum stress component: 1.0878689261313212e-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([[2.4818884948983975, 2.9315401009127384e-17, 7.574139536505042e-36], [-1.2409442474491987, 2.1493784859423366, -4.925530526990121e-37], [5.931681388952593e-36, 1.7396818741841908e-35, 4.104808992501339]])
forces =  [[ 4.87424120e-68  1.42954898e-67  3.37304514e-32]
 [-4.87424120e-68 -1.42954898e-67 -3.37304514e-32]]
stress =  [ 6.55601154e-11  6.55601154e-11  1.08786893e-10  1.51348010e-33
  1.00824017e-33 -7.39481954e-27]
energy per atom =  -4.405318621053204
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0