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_TehranchiCurtin_2010_NiH__MO_535504325462_003
==== 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 15:55:37       -8.933259         0.988222
BFGS:    1 15:55:37       -8.958926         0.817044
BFGS:    2 15:55:37       -9.006420         0.343264
BFGS:    3 15:55:37       -9.008912         0.334537
BFGS:    4 15:55:37       -9.011699         0.231022
BFGS:    5 15:55:37       -9.013742         0.056758
BFGS:    6 15:55:37       -9.013981         0.012630
BFGS:    7 15:55:37       -9.013990         0.000679
BFGS:    8 15:55:37       -9.013990         0.000086
BFGS:    9 15:55:37       -9.013990         0.000002
BFGS:   10 15:55:38       -9.013990         0.000000
BFGS:   11 15:55:38       -9.013990         0.000000
Minimization converged after 11 steps.
Maximum force component: 3.439505767732938e-32 eV/Angstrom
Maximum stress component: 1.1486463154757356e-11 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([[2.482593270419373, -7.466296749713197e-19, 3.273115655376666e-37], [-1.2412966352096866, 2.1499888394474667, -5.249135337408223e-37], [2.4001376114118892e-36, -7.17649510780766e-36, 4.185687888916911]])
forces =  [[ 3.82504058e-33 -2.20838821e-33 -3.43950577e-32]
 [ 6.37506763e-33 -1.54587174e-32  3.43950577e-32]]
stress =  [ 1.14864632e-11  1.14864632e-11 -9.82417491e-12  2.28279106e-34
  7.46217500e-47  3.66188024e-27]
energy per atom =  -4.506995104695848
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0