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_Ni__MO_108408461881_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 15:06:03       -8.732108         1.262513
BFGS:    1 15:06:03       -8.783491         1.029946
BFGS:    2 15:06:03       -8.863185         0.301609
BFGS:    3 15:06:03       -8.869194         0.026374
BFGS:    4 15:06:03       -8.869207         0.022688
BFGS:    5 15:06:03       -8.869226         0.016181
BFGS:    6 15:06:03       -8.869253         0.014076
BFGS:    7 15:06:03       -8.869268         0.007997
BFGS:    8 15:06:03       -8.869272         0.001430
BFGS:    9 15:06:03       -8.869272         0.000116
BFGS:   10 15:06:03       -8.869272         0.000004
BFGS:   11 15:06:04       -8.869272         0.000000
BFGS:   12 15:06:04       -8.869272         0.000000
Minimization converged after 12 steps.
Maximum force component: 2.637877550439504e-31 eV/Angstrom
Maximum stress component: 1.303053642028212e-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([[2.469346752105754, 9.473063648512124e-18, 1.2047892927430648e-36], [-1.234673376052877, 2.1385170180761786, 4.079846688723805e-36], [1.257779489897615e-35, -3.327202288359147e-36, 4.014532576923634]])
forces =  [[ 2.63787755e-31 -1.05437029e-31  8.24715574e-33]
 [-2.63787755e-31  1.05437029e-31 -8.24715574e-33]]
stress =  [-1.30305364e-10 -1.30305364e-10 -7.61851003e-11 -2.29716793e-32
 -6.63135262e-33 -2.61276713e-26]
energy per atom =  -4.434636030241353
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0