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:
Sim_LAMMPS_HybridOverlay_BelandLuOsetskiy_2016_CoNi__SM_445377835613_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 14:08:11       -8.765527         1.046695
BFGS:    1 14:08:11       -8.796323         0.870655
BFGS:    2 14:08:11       -8.851223         0.156646
BFGS:    3 14:08:11       -8.852652         0.149326
BFGS:    4 14:08:11       -8.852963         0.128934
BFGS:    5 14:08:11       -8.853995         0.002225
BFGS:    6 14:08:11       -8.853996         0.000035
BFGS:    7 14:08:12       -8.853996         0.000001
BFGS:    8 14:08:12       -8.853996         0.000000
BFGS:    9 14:08:12       -8.853996         0.000000
Minimization converged after 9 steps.
Maximum force component: 1.5295863656749657e-32 eV/Angstrom
Maximum stress component: 1.1019671808876108e-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([[2.4818957754224464, 3.261899369839422e-17, 1.6271307858920298e-37], [-1.2409478877112232, 2.1493847910611152, 8.299225983019515e-38], [-7.43252002297493e-37, 2.4777013866806154e-36, 4.104842954348297]])
forces =  [[ 1.52958637e-32 -8.83107100e-33  3.27544986e-70]
 [ 1.52958637e-32 -8.83107100e-33  3.27544986e-70]]
stress =  [ 6.52598063e-11  6.52598063e-11  1.10196718e-10 -2.32840483e-34
 -4.03291547e-34  9.59820497e-27]
energy per atom =  -4.399736592267864
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0