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_000
==== 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 14:13:20       -8.765527        1.0467
BFGS:    1 14:13:21       -8.796323        0.8707
BFGS:    2 14:13:21       -8.851223        0.1566
BFGS:    3 14:13:21       -8.852652        0.1493
BFGS:    4 14:13:21       -8.852963        0.1289
BFGS:    5 14:13:21       -8.853995        0.0022
BFGS:    6 14:13:22       -8.853996        0.0000
BFGS:    7 14:13:22       -8.853996        0.0000
BFGS:    8 14:13:22       -8.853996        0.0000
BFGS:    9 14:13:22       -8.853996        0.0000
Minimization converged after 9 steps.
Maximum force component: 6.746146101577689e-32 eV/Angstrom
Maximum stress component: 1.1019758000459853e-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([[2.481895775422446, 3.824250167099738e-17, 2.6814667899242804e-38], [-1.240947887711223, 2.1493847910611157, 1.0474438873173486e-36], [1.599297434215228e-36, 4.3280855750164384e-36, 4.104842954348298]])
forces =  [[ 2.62838171e-68  7.11303647e-68  6.74614610e-32]
 [ 1.52958637e-32 -8.83107100e-33 -6.74614610e-32]]
stress =  [ 6.52598708e-11  6.52598708e-11  1.10197580e-10 -1.86272386e-33
 -7.22452037e-47 -1.20680582e-26]
energy per atom =  -4.399736592267866
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0