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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 15:55:32      -31.328107        15.313543
BFGS:    1 15:55:32      -33.222078        11.977431
BFGS:    2 15:55:32      -34.328254         5.946411
BFGS:    3 15:55:32      -34.490653         4.246437
BFGS:    4 15:55:32      -34.565850         0.761388
BFGS:    5 15:55:32      -34.569097         0.285517
BFGS:    6 15:55:32      -34.569325         0.092569
BFGS:    7 15:55:32      -34.569357         0.001099
BFGS:    8 15:55:33      -34.569357         0.000029
BFGS:    9 15:55:33      -34.569357         0.000000
BFGS:   10 15:55:33      -34.569357         0.000000
Minimization converged after 10 steps.
Maximum force component: 2.3783741498331576e-31 eV/Angstrom
Maximum stress component: 3.2469640427129967e-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([[2.4119579348826456, 2.6001742138938226e-18, 6.189022371509122e-36], [-1.2059789674413228, 2.088816844467824, 2.0192033346148393e-35], [1.472855356416882e-34, 4.627269941903997e-34, 3.938789384085518]])
forces =  [[ 2.37837415e-31 -1.37315496e-31 -9.20535659e-67]
 [ 2.37837415e-31 -1.37315496e-31 -9.20535659e-67]]
stress =  [ 1.85358732e-10  1.85358732e-10  3.24696404e-10  2.49692840e-33
  8.64961371e-34 -6.29958222e-27]
energy per atom =  -17.284678392989882
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0