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_1988T3_Si__MO_186459956893_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      -17.127937         0.651389
BFGS:    1 16:25:36      -17.139773         0.632257
BFGS:    2 16:25:36      -17.188762         0.426872
BFGS:    3 16:25:36      -17.209028         0.072802
BFGS:    4 16:25:36      -17.209254         0.021089
BFGS:    5 16:25:36      -17.209272         0.018083
BFGS:    6 16:25:36      -17.209311         0.009610
BFGS:    7 16:25:36      -17.209316         0.002613
BFGS:    8 16:25:36      -17.209316         0.000157
BFGS:    9 16:25:36      -17.209316         0.000013
BFGS:   10 16:25:36      -17.209316         0.000000
BFGS:   11 16:25:36      -17.209316         0.000000
Minimization converged after 11 steps.
Maximum force component: 1.0881427009025265e-32 eV/Angstrom
Maximum stress component: 4.752621880092645e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 9.69754141e-38 5.00741786e-33]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [7.54038487e-34 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[4.9030305380748125, -1.916227866121568e-36, 1.8004601802018585e-38], [2.6704942631191427e-36, 4.9030305380748125, -2.484757731504005e-18], [-1.9418209158964373e-38, -1.334628156333093e-18, 2.56816360342445]])
forces =  [[ 5.38538487e-69  9.91503800e-33  1.97844127e-33]
 [ 3.08591092e-69  5.66573600e-33 -2.87128159e-51]
 [ 3.77715733e-33  1.88857867e-33 -6.42993414e-33]
 [ 4.71114222e-69  8.49860400e-33 -1.08814270e-32]]
stress =  [ 5.30449797e-11  5.30449797e-11 -4.75262188e-10 -1.34931832e-27
  1.38698674e-48  7.18280691e-65]
energy per atom =  -4.302329020282222
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0