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_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_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 10:58:03       -8.776435         0.908054
BFGS:    1 10:58:04       -8.800730         0.767970
BFGS:    2 10:58:04       -8.851839         0.148293
BFGS:    3 10:58:04       -8.853063         0.119500
BFGS:    4 10:58:04       -8.853279         0.087505
BFGS:    5 10:58:04       -8.853505         0.056976
BFGS:    6 10:58:04       -8.853835         0.027780
BFGS:    7 10:58:04       -8.853905         0.008874
BFGS:    8 10:58:04       -8.853909         0.001736
BFGS:    9 10:58:04       -8.853910         0.000346
BFGS:   10 10:58:04       -8.853910         0.000013
BFGS:   11 10:58:04       -8.853910         0.000001
BFGS:   12 10:58:05       -8.853910         0.000000
Minimization converged after 12 steps.
Maximum force component: 1.2761025865962516e-32 eV/Angstrom
Maximum stress component: 5.172752271790942e-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([[2.484713794331957, 4.414553125397774e-19, -7.140152924782995e-37], [-1.2423568971659784, 2.1518252670250972, 8.476053167589774e-37], [1.1728919805051759e-35, 5.043811321389796e-35, 4.080999907146412]])
forces =  [[ 1.27610259e-32 -4.42054903e-33 -4.67489635e-69]
 [-1.27610259e-32  4.42054903e-33  4.67489635e-69]]
stress =  [-4.57443752e-10 -4.57443752e-10 -5.17275227e-10  9.35740901e-34
  9.19865776e-46 -9.95955470e-26]
energy per atom =  -4.426954833094626
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0