element(s):
['O', 'Si']
AFLOW prototype label:
A2B_tP6_136_f_a
Parameter names:
['a', 'c/a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2324', '0.63647103', '0.30675261']
model name:
Tersoff_LAMMPS_MunetohMotookaMoriguchi_2007_SiO__MO_501246546792_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'Si']
representative atom coordinates =  [[0.30675261 0.30675261 0.        ]
 [0.         0.         0.        ]]
spacegroup =  136
cell =  [[4.2324, 0, 0], [0, 4.2324, 0], [0, 0, 2.6938]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:16:45      -36.570264        10.301278
BFGS:    1 15:16:45      -37.112274         8.883572
BFGS:    2 15:16:45      -37.570660         7.196327
BFGS:    3 15:16:45      -37.955376         5.187944
BFGS:    4 15:16:45      -38.268274         2.917330
BFGS:    5 15:16:45      -38.519778         1.804387
BFGS:    6 15:16:45      -38.742128         1.641384
BFGS:    7 15:16:45      -38.947553         1.475290
BFGS:    8 15:16:45      -39.135305         1.305053
BFGS:    9 15:16:45      -39.303634         1.129462
BFGS:   10 15:16:45      -39.450233         0.947367
BFGS:   11 15:16:45      -39.572549         0.757858
BFGS:   12 15:16:45      -39.668002         0.560415
BFGS:   13 15:16:45      -39.345628        16.118318
BFGS:   14 15:16:45      -39.682515         0.523866
BFGS:   15 15:16:45      -39.688635         0.606183
BFGS:   16 15:16:45      -39.699213         0.808618
BFGS:   17 15:16:45      -39.704491         0.833740
BFGS:   18 15:16:45      -38.897694        22.197923
BFGS:   19 15:16:45      -39.709707         0.751572
BFGS:   20 15:16:45      -39.711858         0.698399
BFGS:   21 15:16:45      -39.703847         2.700821
BFGS:   22 15:16:45      -39.713887         0.512711
BFGS:   23 15:16:45      -39.714277         0.028625
BFGS:   24 15:16:45      -39.714285         0.026608
BFGS:   25 15:16:45      -39.714340         0.030090
BFGS:   26 15:16:45      -39.714342         0.007833
BFGS:   27 15:16:45      -39.714343         0.001275
BFGS:   28 15:16:45      -39.714343         0.001246
BFGS:   29 15:16:45      -39.714343         0.000238
BFGS:   30 15:16:45      -39.714343         0.000024
BFGS:   31 15:16:45      -39.714343         0.000000
BFGS:   32 15:16:45      -39.714343         0.000000
BFGS:   33 15:16:45      -39.714343         0.000000
Minimization converged after 33 steps.
Maximum force component: 3.882386460929422e-10 eV/Angstrom
Maximum stress component: 2.768676718494047e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'Si', 'Si']
basis =  [[3.17300611e-01 3.17300611e-01 0.00000000e+00]
 [6.82699389e-01 6.82699389e-01 3.90418180e-34]
 [1.82699389e-01 8.17300611e-01 5.00000000e-01]
 [8.17300611e-01 1.82699389e-01 5.00000000e-01]
 [0.00000000e+00 0.00000000e+00 8.66902505e-50]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[3.868826850844411, -1.1770124136701609e-34, 1.2198988084168673e-32], [-1.688900736419482e-34, 3.8688268508444112, 4.4301359157195424e-18], [1.5212722239252583e-33, 4.256719967189373e-18, 2.9597954876790538]])
forces =  [[-3.88238646e-10 -3.88238646e-10 -4.44566282e-28]
 [ 3.88238646e-10  3.88238646e-10  4.44611885e-28]
 [ 3.88238646e-10 -3.88238646e-10 -4.44666609e-28]
 [-3.88238646e-10  3.88238646e-10  4.44561722e-28]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-2.76867672e-11 -2.76867672e-11  1.80120124e-11 -2.47392272e-27
 -8.61131448e-33  7.31412014e-49]
energy per atom =  -6.619057105864109
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0