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_1959LowCutoff_Ni__MO_322509103239_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 15:04:52       -7.831846        0.7567
BFGS:    1 15:04:52       -7.847987        0.5961
BFGS:    2 15:04:52       -7.872504        0.0899
BFGS:    3 15:04:52       -7.872634        0.0800
BFGS:    4 15:04:52       -7.872919        0.0051
BFGS:    5 15:04:52       -7.872920        0.0003
BFGS:    6 15:04:52       -7.872920        0.0000
BFGS:    7 15:04:52       -7.872920        0.0000
BFGS:    8 15:04:52       -7.872920        0.0000
Minimization converged after 8 steps.
Maximum force component: 3.3612629102010413e-32 eV/Angstrom
Maximum stress component: 1.3687059221753875e-11 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([[2.515024112986477, 1.7935128293543624e-17, -1.6855471207960284e-36], [-1.2575120564932385, 2.178074772976713, 4.324363357925887e-38], [-3.060519434138316e-36, -1.0640296215320248e-35, 4.090470667815586]])
forces =  [[-2.09896278e-33  3.63551017e-33 -3.36126291e-32]
 [ 2.09896278e-33 -3.63551017e-33  3.36126291e-32]]
stress =  [-4.92958904e-12 -4.92958904e-12  1.36870592e-11 -2.30580800e-34
  3.99377661e-34  6.14926698e-28]
energy per atom =  -3.936460064724825
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0