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:
Sim_LAMMPS_ModifiedTersoff_KumagaiIzumiHara_2007_Si__SM_773333226968_000
==== 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 17:24:54      -17.173267         0.293780
BFGS:    1 17:24:54      -17.176195         0.245552
BFGS:    2 17:24:55      -17.182366         0.046407
BFGS:    3 17:24:55      -17.182400         0.036363
BFGS:    4 17:24:55      -17.182469         0.022132
BFGS:    5 17:24:55      -17.182574         0.024691
BFGS:    6 17:24:55      -17.182651         0.015241
BFGS:    7 17:24:55      -17.182673         0.004723
BFGS:    8 17:24:55      -17.182675         0.000890
BFGS:    9 17:24:55      -17.182675         0.000043
BFGS:   10 17:24:55      -17.182675         0.000003
BFGS:   11 17:24:55      -17.182675         0.000000
BFGS:   12 17:24:55      -17.182675         0.000000
Minimization converged after 12 steps.
Maximum force component: 7.363696745992521e-32 eV/Angstrom
Maximum stress component: 6.800377364063604e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[1.96207507e-33 4.23779819e-33 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([[4.779312435177513, -5.050295165438356e-37, 1.2224503985263931e-39], [-8.800254746887784e-38, 4.779312435177513, 1.112889996967642e-18], [3.131360548796867e-37, 6.136871859545829e-19, 2.641687630934459]])
forces =  [[ 2.94547870e-32  8.03704599e-51  3.45963961e-32]
 [ 3.68184837e-32  4.41821805e-32  1.62806570e-32]
 [ 1.08471514e-69 -5.89095740e-32 -1.37174283e-50]
 [-5.73956004e-70 -7.36369675e-32 -1.62806570e-32]]
stress =  [-2.61576020e-11 -2.61576020e-11 -6.80037736e-11  7.68163362e-27
  4.88139081e-34 -4.67055656e-50]
energy per atom =  -4.295668833466142
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0