element(s):
['O', 'Si']
AFLOW prototype label:
A2B_tP3_123_h_a
Parameter names:
['a', 'c/a', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4116', '2.3361254', '0.80662489']
model name:
Sim_LAMMPS_Vashishta_NakanoKaliaVashishta_1994_SiO__SM_503555646986_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'Si']
representative atom coordinates =  [[0.5        0.5        0.80662489]
 [0.         0.         0.        ]]
spacegroup =  123
cell =  [[2.4116, 0, 0], [0, 2.4116, 0], [0, 0, 5.6338]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:42:25       -6.225723       12.1532
BFGS:    1 15:42:26       -7.689411       10.2808
BFGS:    2 15:42:26       -8.736050        8.6627
BFGS:    3 15:42:26       -9.586110        7.1946
BFGS:    4 15:42:26      -10.264994        5.7025
BFGS:    5 15:42:26      -10.786294        4.2983
BFGS:    6 15:42:26      -11.166148        3.0026
BFGS:    7 15:42:26      -11.421006        1.8218
BFGS:    8 15:42:26      -11.567203        0.7716
BFGS:    9 15:42:26      -11.622799        0.6786
BFGS:   10 15:42:26      -11.636679        0.6768
BFGS:   11 15:42:26      -11.666122        0.7219
BFGS:   12 15:42:26      -11.697261        0.8035
BFGS:   13 15:42:26      -11.730952        0.9380
BFGS:   14 15:42:26      -11.766886        1.0927
BFGS:   15 15:42:26      -11.795471        1.2293
BFGS:   16 15:42:26      -11.820843        1.3296
BFGS:   17 15:42:26      -11.846070        1.3951
BFGS:   18 15:42:26      -11.873193        1.4274
BFGS:   19 15:42:26      -11.903300        1.4276
BFGS:   20 15:42:26      -11.936769        1.3952
BFGS:   21 15:42:26      -11.973444        1.3276
BFGS:   22 15:42:26      -12.013067        1.2149
BFGS:   23 15:42:26      -12.051961        1.0707
BFGS:   24 15:42:26      -12.086171        0.9120
BFGS:   25 15:42:27      -12.115059        0.7403
BFGS:   26 15:42:27      -12.138040        0.5573
BFGS:   27 15:42:27      -12.154667        0.3656
BFGS:   28 15:42:27      -12.164711        0.1695
BFGS:   29 15:42:27      -12.168333        0.0423
BFGS:   30 15:42:27      -12.168450        0.0363
BFGS:   31 15:42:27      -12.168609        0.0431
BFGS:   32 15:42:27      -12.168802        0.0330
BFGS:   33 15:42:27      -12.168881        0.0125
BFGS:   34 15:42:27      -12.168894        0.0026
BFGS:   35 15:42:27      -12.168894        0.0002
BFGS:   36 15:42:27      -12.168894        0.0000
BFGS:   37 15:42:27      -12.168894        0.0000
BFGS:   38 15:42:27      -12.168894        0.0000
Minimization converged after 38 steps.
Maximum force component: 1.0008888162715828e-10 eV/Angstrom
Maximum stress component: 4.800894876061575e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'Si']
basis =  [[0.5        0.5        0.85094502]
 [0.5        0.5        0.14905498]
 [0.         0.         0.        ]]
cellpar =  Cell([[2.75762533820177, -3.8148571509415945e-35, 4.763827615838484e-33], [-1.6645758264367936e-34, 2.7576253382017706, 4.606408032683295e-17], [5.68821117752812e-33, 1.2107138055226048e-16, 7.843715275511334]])
forces =  [[-1.69951783e-32 -1.54498626e-27 -1.00088882e-10]
 [-1.69951783e-32  1.54496926e-27  1.00088882e-10]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 4.80089488e-12  4.80089488e-12 -3.92407255e-12 -1.50922971e-28
 -2.27941483e-33 -5.06131765e-49]
energy per atom =  -4.056297967681623
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0