element(s):
['H', 'Na']
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:
['4.7821']
model name:
Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['H', 'Na']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[4.7821, 0, 0], [0, 4.7821, 0], [0, 0, 4.7821]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 11:18:04       -8.049111        1.3603
BFGS:    1 11:18:04       -8.131036        1.4535
BFGS:    2 11:18:04       -8.282766        0.5680
BFGS:    3 11:18:04       -8.276927        0.7800
BFGS:    4 11:18:04       -8.287429        0.0424
BFGS:    5 11:18:04       -8.287456        0.0055
BFGS:    6 11:18:04       -8.287456        0.0000
BFGS:    7 11:18:04       -8.287456        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.6828326916841055e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['H', 'H', 'H', 'H', 'Na', 'Na', 'Na', 'Na']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.76934293e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.02990708e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 3.60583933e-50 0.00000000e+00]
 [5.76934293e-49 5.00000000e-01 2.02990708e-35]
 [0.00000000e+00 2.02990708e-35 5.00000000e-01]]
cellpar =  Cell([[4.74388694700129, -2.0572622863171284e-33, -4.398574974567479e-33], [2.598374976247803e-32, 4.74388694700129, -9.903775193123016e-19], [-1.301044223165938e-32, -9.903775193122948e-19, 4.74388694700129]])
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 =  [3.68283269e-10 3.68283269e-10 3.68283269e-10 1.00630207e-25
 4.56426185e-35 1.12614942e-50]
energy per atom =  -1.03593204339398
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0