element(s):
['O', 'Si']
AFLOW prototype label:
A2B_cP12_205_c_a
Parameter names:
['a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.4868', '0.34394406']
model name:
Tersoff_LAMMPS_MunetohMotookaMoriguchi_2007_SiO__MO_501246546792_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'Si']
representative atom coordinates =  [[0.34394406 0.34394406 0.34394406]
 [0.         0.         0.        ]]
spacegroup =  205
cell =  [[4.4868, 0, 0], [0, 4.4868, 0], [0, 0, 4.4868]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:02:39      -79.361890         1.728704
BFGS:    1 17:02:39      -79.527313         1.654799
BFGS:    2 17:02:39      -79.817583         1.501457
BFGS:    3 17:02:39      -80.059059         1.342493
BFGS:    4 17:02:39      -80.258532         1.177582
BFGS:    5 17:02:39      -80.421154         1.006397
BFGS:    6 17:02:39      -80.550893         0.828618
BFGS:    7 17:02:39      -80.650908         0.643933
BFGS:    8 17:02:39      -80.723928         0.452065
BFGS:    9 17:02:40      -80.772759         0.316117
BFGS:   10 17:02:40      -80.801500         0.295693
BFGS:   11 17:02:40      -80.815012         0.234890
BFGS:   12 17:02:40      -80.831759         0.091052
BFGS:   13 17:02:40      -80.836386         0.036004
BFGS:   14 17:02:40      -80.836858         0.005654
BFGS:   15 17:02:40      -80.836872         0.000495
BFGS:   16 17:02:40      -80.836872         0.000022
BFGS:   17 17:02:40      -80.836872         0.000001
BFGS:   18 17:02:40      -80.836872         0.000000
Minimization converged after 18 steps.
Maximum force component: 1.2692140772585342e-09 eV/Angstrom
Maximum stress component: 9.267188252625098e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si']
basis =  [[3.37624682e-01 3.37624682e-01 3.37624682e-01]
 [1.62375318e-01 6.62375318e-01 8.37624682e-01]
 [6.62375318e-01 8.37624682e-01 1.62375318e-01]
 [8.37624682e-01 1.62375318e-01 6.62375318e-01]
 [6.62375318e-01 6.62375318e-01 6.62375318e-01]
 [8.37624682e-01 3.37624682e-01 1.62375318e-01]
 [3.37624682e-01 1.62375318e-01 8.37624682e-01]
 [1.62375318e-01 8.37624682e-01 3.37624682e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 2.91077662e-53 5.00000000e-01]
 [9.70258875e-54 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.30420681456467, -5.923273062947781e-37, 0.0], [-7.206348296987133e-37, 4.30420681456467, 0.0], [0.0, 0.0, 4.30420681456467]])
forces =  [[ 1.26921408e-09  1.26921408e-09  1.26921408e-09]
 [-1.26921408e-09 -1.26921408e-09  1.26921408e-09]
 [-1.26921408e-09  1.26921408e-09 -1.26921408e-09]
 [ 1.26921408e-09 -1.26921408e-09 -1.26921408e-09]
 [-1.26921408e-09 -1.26921408e-09 -1.26921408e-09]
 [ 1.26921408e-09  1.26921408e-09 -1.26921408e-09]
 [ 1.26921408e-09 -1.26921408e-09  1.26921408e-09]
 [-1.26921408e-09  1.26921408e-09  1.26921408e-09]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 9.26718825e-10  9.26718825e-10  9.26718825e-10  0.00000000e+00
  0.00000000e+00 -9.67449049e-63]
energy per atom =  -6.736405981310234
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0