element(s):
['Si']
AFLOW prototype label:
A_tI4_141_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8146', '0.54949529']
model name:
Tersoff_LAMMPS_Tersoff_1988T2_Si__MO_245095684871_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  141
cell =  [[4.8146, 0, 0], [0, 4.8146, 0], [0, 0, 2.6456]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:25:36      -16.507699         1.547629
BFGS:    1 16:25:37      -16.572285         1.155810
BFGS:    2 16:25:37      -16.642957         0.612123
BFGS:    3 16:25:37      -16.654158         0.757899
BFGS:    4 16:25:37      -16.677117         0.783829
BFGS:    5 16:25:37      -16.695364         0.462017
BFGS:    6 16:25:37      -16.701671         0.129243
BFGS:    7 16:25:37      -16.702726         0.011265
BFGS:    8 16:25:37      -16.702738         0.000315
BFGS:    9 16:25:37      -16.702738         0.000008
BFGS:   10 16:25:37      -16.702738         0.000000
BFGS:   11 16:25:37      -16.702738         0.000000
Minimization converged after 11 steps.
Maximum force component: 6.146405689701501e-32 eV/Angstrom
Maximum stress component: 9.3964737146001e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[1.78592658e-34 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[4.98655671154964, 1.2489097713178584e-36, -4.04473394249174e-40], [-9.421973478212077e-37, 4.98655671154964, 1.5454060779198722e-19], [8.597250618636099e-39, 8.135456419198943e-20, 2.5841976614860003]])
forces =  [[-1.15604943e-68  6.14640569e-32  1.59263477e-32]
 [ 3.07320284e-32  1.25346553e-51  3.98158693e-32]
 [ 3.07320284e-32 -1.37881208e-51 -4.37974562e-32]
 [ 3.07320284e-32 -1.00277242e-51 -3.18526954e-32]]
stress =  [-9.39647371e-12 -9.39647371e-12 -2.10471061e-12  6.22005464e-29
 -1.19564976e-34 -7.56344373e-54]
energy per atom =  -4.175684400852081
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0