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_ZhangAshcraftMendelev_2016_NiNb__MO_047308317761_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 15:06:12       -9.637246         0.908301
BFGS:    1 15:06:12       -9.661761         0.801222
BFGS:    2 15:06:12       -9.721588         0.240373
BFGS:    3 15:06:12       -9.724084         0.188085
BFGS:    4 15:06:12       -9.725078         0.098964
BFGS:    5 15:06:12       -9.725248         0.081419
BFGS:    6 15:06:12       -9.725693         0.002219
BFGS:    7 15:06:12       -9.725693         0.000206
BFGS:    8 15:06:12       -9.725693         0.000002
BFGS:    9 15:06:12       -9.725693         0.000000
BFGS:   10 15:06:12       -9.725693         0.000000
Minimization converged after 10 steps.
Maximum force component: 1.764092595733795e-32 eV/Angstrom
Maximum stress component: 2.1570348743790335e-12 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([[2.4789144832763768, 4.7335690087124265e-17, -3.349270641968497e-36], [-1.2394572416381884, 2.1468029163265157, 4.5272294559011e-37], [1.4757606323816218e-35, -3.3162067458797346e-36, 4.075122770265196]])
forces =  [[ 1.01849934e-32  1.76409260e-32 -2.38018046e-68]
 [-1.01849934e-32 -1.76409260e-32  2.38018046e-68]]
stress =  [-2.15703487e-12 -2.15703487e-12 -7.16859093e-13  2.34820677e-34
  2.32553205e-47  7.35357441e-28]
energy per atom =  -4.86284652526467
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0