element(s):
['Ni', 'O']
AFLOW prototype label:
AB_cF8_225_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2269']
model name:
Sim_LAMMPS_Buckingham_FisherMatsubara_2005_NiO__SM_337243826931_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni', 'O']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[4.2269, 0, 0], [0, 4.2269, 0], [0, 0, 4.2269]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:11:48     -162.554060         0.325002
BFGS:    1 12:11:48     -162.558430         0.305211
BFGS:    2 12:11:48     -162.587893         0.085905
BFGS:    3 12:11:49     -162.590360         0.003132
BFGS:    4 12:11:49     -162.590377         0.000029
BFGS:    5 12:11:49     -162.590378         0.000000
BFGS:    6 12:11:49     -162.590378         0.000000
BFGS:    7 12:11:49     -162.590378         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.352930138855385e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Ni', 'O', 'O', 'O', 'O']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 6.53506260e-49 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 9.19728296e-35]
 [6.29715014e-67 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.188041082735548, 3.200882798046515e-32, -1.4463059526165773e-34], [2.867447225298575e-32, 4.188041082735548, 5.064389758071352e-18], [-3.559571440763756e-33, 5.064389758071348e-18, 4.188041082735548]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 5.35293014e-10  5.35293014e-10  5.35293014e-10 -2.84968929e-26
 -1.59417005e-58  5.86069642e-58]
energy per atom =  -20.323797197587833
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0