element(s):
['Ni']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5048']
model name:
Sim_LAMMPS_HybridOverlay_BelandLuOsetskiy_2016_CoNi__SM_445377835613_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.5048, 0, 0], [0, 3.5048, 0], [0, 0, 3.5048]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:11:33      -17.792288        0.1626
BFGS:    1 17:11:33      -17.793343        0.1404
BFGS:    2 17:11:33      -17.796489        0.0030
BFGS:    3 17:11:33      -17.796490        0.0001
BFGS:    4 17:11:33      -17.796490        0.0000
BFGS:    5 17:11:33      -17.796490        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.297271677525015e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [9.71910689e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.520013585291075, -5.348433320354055e-37, -1.6010756894848944e-37], [-4.086383274880123e-33, 3.520013585291075, 4.2598107969898366e-20], [4.6573124518385703e-38, 4.2598107969899094e-20, 3.520013585291075]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.29727168e-14 -2.29727168e-14 -2.29727168e-14 -4.45650211e-34
  2.07248093e-35  5.24680859e-55]
energy per atom =  -4.421861221634362
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0