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_1988T2_Si__MO_245095684871_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 15:34:02      -18.510753        0.3474
BFGS:    1 15:34:02      -18.514008        0.2720
BFGS:    2 15:34:02      -18.519154        0.1186
BFGS:    3 15:34:02      -18.520199        0.0960
BFGS:    4 15:34:02      -18.521309        0.0124
BFGS:    5 15:34:02      -18.521321        0.0128
BFGS:    6 15:34:02      -18.521332        0.0177
BFGS:    7 15:34:02      -18.521359        0.0253
BFGS:    8 15:34:02      -18.521417        0.0330
BFGS:    9 15:34:02      -18.521514        0.0349
BFGS:   10 15:34:02      -18.521607        0.0233
BFGS:   11 15:34:02      -18.521643        0.0081
BFGS:   12 15:34:02      -18.521648        0.0012
BFGS:   13 15:34:02      -18.521649        0.0001
BFGS:   14 15:34:02      -18.521649        0.0000
BFGS:   15 15:34:02      -18.521649        0.0000
BFGS:   16 15:34:02      -18.521649        0.0000
Minimization converged after 16 steps.
Maximum force component: 3.007633767717886e-09 eV/Angstrom
Maximum stress component: 9.359946592700296e-11 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([[3.840460091664894, 3.379811263000415e-18, 4.1355686590215605e-39], [-1.920230045832447, 3.3259360016021122, -2.9009625103595424e-37], [1.1332922216244743e-36, 2.0858514423809047e-36, 6.271445071341054]])
forces =  [[ 4.41815037e-31 -3.27962611e-31 -3.00763377e-09]
 [-2.52465735e-31 -1.00054622e-45 -3.00763377e-09]
 [ 6.31164338e-32  3.27962611e-31  3.00763377e-09]
 [ 5.04931471e-31 -4.37283481e-31  3.00763377e-09]]
stress =  [-1.33217453e-11 -1.33217453e-11 -9.35994659e-11  2.27738776e-46
  8.26722164e-47 -3.30572960e-27]
energy per atom =  -4.630412163496892
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0