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 14:06:19       -8.761956         1.288138
BFGS:    1 14:06:19       -8.817689         1.058344
BFGS:    2 14:06:19       -8.902992         0.315637
BFGS:    3 14:06:19       -8.908320         0.183844
BFGS:    4 14:06:19       -8.908776         0.133470
BFGS:    5 14:06:19       -8.909502         0.046386
BFGS:    6 14:06:19       -8.909718         0.020107
BFGS:    7 14:06:19       -8.909742         0.003749
BFGS:    8 14:06:19       -8.909743         0.000546
BFGS:    9 14:06:19       -8.909743         0.000015
BFGS:   10 14:06:19       -8.909743         0.000000
BFGS:   11 14:06:19       -8.909743         0.000000
Minimization converged after 11 steps.
Maximum force component: 6.079235079088878e-32 eV/Angstrom
Maximum stress component: 4.2072351335207436e-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([[2.4660307190193675, 3.0137188232223605e-18, 2.0340744034747e-38], [-1.2330153595096838, 2.1356452491835762, 6.6204491789645895e-37], [-1.3757968492922363e-35, -2.6727068851111293e-35, 4.024964193631761]])
forces =  [[ 6.07923508e-32 -3.50984801e-32 -1.05461528e-68]
 [-6.07923508e-32  3.50984801e-32  1.05461528e-68]]
stress =  [-3.66457331e-10 -3.66457331e-10 -4.20723513e-10 -2.98736361e-34
 -5.17426556e-35 -1.37266271e-25]
energy per atom =  -4.454871595896649
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0