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:
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
==== 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 15:04:12       -8.761956        1.2881
BFGS:    1 15:04:12       -8.817689        1.0583
BFGS:    2 15:04:12       -8.902992        0.3156
BFGS:    3 15:04:12       -8.908320        0.1838
BFGS:    4 15:04:12       -8.908776        0.1335
BFGS:    5 15:04:12       -8.909502        0.0464
BFGS:    6 15:04:12       -8.909718        0.0201
BFGS:    7 15:04:12       -8.909742        0.0037
BFGS:    8 15:04:12       -8.909743        0.0005
BFGS:    9 15:04:12       -8.909743        0.0000
BFGS:   10 15:04:12       -8.909743        0.0000
BFGS:   11 15:04:12       -8.909743        0.0000
Minimization converged after 11 steps.
Maximum force component: 1.5198087697722193e-31 eV/Angstrom
Maximum stress component: 4.2072896816532495e-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([[2.466030719019367, 2.1094472400611134e-17, 2.2024582530474655e-38], [-1.2330153595096836, 2.135645249183575, 7.386003831201442e-37], [1.4870395332739135e-35, 3.634776727059395e-35, 4.024964193631753]])
forces =  [[ 9.11885262e-32 -5.26477201e-32 -1.76649573e-68]
 [-1.51980877e-31  8.77462002e-32  2.94415956e-68]]
stress =  [-3.66458933e-10 -3.66458933e-10 -4.20728968e-10 -3.05906034e-32
  5.86515767e-45  4.25139498e-26]
energy per atom =  -4.4548715958966545
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0