element(s):
['Si']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8496', '1.6527431', '0.56294015']
model name:
Tersoff_LAMMPS_Tersoff_1988T3_Si__MO_186459956893_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.56294015]]
spacegroup =  194
cell =  [[3.8496, 0, 0], [-1.9248, 3.3338513944086, 0], [0, 0, 6.3624]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:41:33      -18.506444         0.410554
BFGS:    1 15:41:33      -18.509494         0.346758
BFGS:    2 15:41:33      -18.516266         0.131764
BFGS:    3 15:41:33      -18.517242         0.105047
BFGS:    4 15:41:33      -18.518393         0.042617
BFGS:    5 15:41:33      -18.518460         0.041381
BFGS:    6 15:41:33      -18.518875         0.014512
BFGS:    7 15:41:33      -18.518900         0.005189
BFGS:    8 15:41:33      -18.518902         0.000288
BFGS:    9 15:41:33      -18.518902         0.000010
BFGS:   10 15:41:33      -18.518902         0.000000
BFGS:   11 15:41:33      -18.518902         0.000000
Minimization converged after 11 steps.
Maximum force component: 5.607415210548067e-09 eV/Angstrom
Maximum stress component: 1.777271541879058e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.33333333 0.66666667 0.5625    ]
 [0.66666666 0.33333334 0.0625    ]
 [0.66666666 0.33333334 0.4375    ]
 [0.33333333 0.66666667 0.9375    ]]
cellpar =  Cell([[3.840989155331662, 3.571610544229665e-18, 9.310806611160467e-39], [-1.920494577665831, 3.3263941841777522, 9.988070838248388e-38], [4.718226299757062e-37, 5.3207941358865335e-37, 6.272309025074529]])
forces =  [[-9.46876932e-32 -4.75764578e-46 -5.60741521e-09]
 [ 4.41875902e-31 -2.18671861e-31 -5.60741521e-09]
 [ 4.41875902e-31 -3.28007791e-31  5.60741521e-09]
 [ 4.21807245e-46  4.75676531e-46  5.60741521e-09]]
stress =  [ 1.77727154e-10  1.77727154e-10 -9.14638118e-11 -3.93847453e-34
  1.80465073e-47 -5.00293306e-26]
energy per atom =  -4.629725503248419
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0