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:
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Ni__MO_381861218831_004
==== 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 14:08:13       -8.391606         1.085339
BFGS:    1 14:08:13       -8.427142         0.871293
BFGS:    2 14:08:13       -8.479679         0.150422
BFGS:    3 14:08:13       -8.480050         0.131598
BFGS:    4 14:08:13       -8.480871         0.002691
BFGS:    5 14:08:13       -8.480872         0.000069
BFGS:    6 14:08:13       -8.480872         0.000000
BFGS:    7 14:08:13       -8.480872         0.000000
Minimization converged after 7 steps.
Maximum force component: 1.3371133587946715e-31 eV/Angstrom
Maximum stress component: 6.469850615030606e-12 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([[2.491022938824697, 1.994823682291733e-17, 9.318247827421935e-37], [-1.2455114694123486, 2.157289146431957, -5.0406643012742714e-36], [3.527487104483727e-36, 1.1842926675388063e-35, 4.067982124438198]])
forces =  [[ 2.55868569e-33 -1.32953209e-32 -1.33711336e-31]
 [-2.55868569e-33  1.32953209e-32  1.33711336e-31]]
stress =  [ 6.46985062e-12  6.46985062e-12 -3.20981538e-12  2.97838067e-47
  1.47905786e-47 -7.83272493e-28]
energy per atom =  -4.240435849283333
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0