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_SamolyukBelandStocks_2016_NiPd__MO_532072268679_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 10:53:15       -8.765532         1.046617
BFGS:    1 10:53:15       -8.796323         0.870584
BFGS:    2 10:53:15       -8.851214         0.156562
BFGS:    3 10:53:16       -8.852642         0.149327
BFGS:    4 10:53:16       -8.852953         0.128934
BFGS:    5 10:53:16       -8.853986         0.002263
BFGS:    6 10:53:16       -8.853986         0.000030
BFGS:    7 10:53:16       -8.853986         0.000001
BFGS:    8 10:53:16       -8.853986         0.000000
BFGS:    9 10:53:16       -8.853986         0.000000
Minimization converged after 9 steps.
Maximum force component: 8.92261368380326e-33 eV/Angstrom
Maximum stress component: 1.0687352825742163e-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([[2.4819031607320463, 2.3504829841525267e-17, -2.8224853319879752e-36], [-1.2409515803660232, 2.149391186926844, 2.4750995670632917e-36], [4.1406897805259645e-36, 6.080618287477539e-36, 4.10485446321681]])
forces =  [[-8.92261368e-33  6.62332296e-33 -1.31761035e-34]
 [ 8.92261368e-33 -6.62332296e-33  1.31761035e-34]]
stress =  [ 7.33471526e-11  7.33471526e-11  1.06873528e-10 -2.03498987e-46
  3.30199040e-47  4.18024668e-26]
energy per atom =  -4.399731703711601
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0