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 14:04:56       -8.765532         1.046617
BFGS:    1 14:04:56       -8.796323         0.870584
BFGS:    2 14:04:56       -8.851214         0.156562
BFGS:    3 14:04:56       -8.852642         0.149327
BFGS:    4 14:04:56       -8.852953         0.128934
BFGS:    5 14:04:56       -8.853986         0.002263
BFGS:    6 14:04:56       -8.853986         0.000030
BFGS:    7 14:04:56       -8.853986         0.000001
BFGS:    8 14:04:56       -8.853986         0.000000
BFGS:    9 14:04:56       -8.853986         0.000000
Minimization converged after 9 steps.
Maximum force component: 3.82397729305854e-33 eV/Angstrom
Maximum stress component: 1.0687358149293769e-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, 2.3485018216717117e-17, 3.930964200846443e-36], [-1.2409515803660232, 2.1493911869268443, 1.2945244722443298e-35], [4.063456550044446e-36, 6.496034288623231e-35, 4.10485446321681]])
forces =  [[-3.82397729e-33  2.20777432e-33  9.25913215e-69]
 [-3.82397729e-33  2.20777432e-33  9.25913215e-69]]
stress =  [ 7.33475098e-11  7.33475098e-11  1.06873581e-10  1.45524461e-35
  2.26850184e-34 -4.10776930e-27]
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