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:
Sim_LAMMPS_ModifiedTersoff_KumagaiIzumiHara_2007_Si__SM_773333226968_000
==== 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 16:26:20      -18.505843         0.430894
BFGS:    1 16:26:20      -18.509153         0.366867
BFGS:    2 16:26:20      -18.517544         0.154520
BFGS:    3 16:26:20      -18.518724         0.106192
BFGS:    4 16:26:20      -18.519532         0.043721
BFGS:    5 16:26:20      -18.519605         0.042252
BFGS:    6 16:26:20      -18.519962         0.018332
BFGS:    7 16:26:20      -18.519994         0.007281
BFGS:    8 16:26:20      -18.519997         0.000563
BFGS:    9 16:26:20      -18.519997         0.000020
BFGS:   10 16:26:20      -18.519997         0.000001
BFGS:   11 16:26:20      -18.519997         0.000000
BFGS:   12 16:26:20      -18.519997         0.000000
Minimization converged after 12 steps.
Maximum force component: 5.152744064762516e-10 eV/Angstrom
Maximum stress component: 1.5572435734661254e-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([[3.8388827440846156, 5.928586481983212e-18, 7.468614031072812e-38], [-1.9194413720423078, 3.3245699785269918, 6.795905013248155e-38], [-2.069847547205324e-36, -7.814965718818075e-37, 6.268869270230549]])
forces =  [[-5.99359852e-31  3.82465895e-31 -5.15274406e-10]
 [ 3.78543065e-31 -2.18551940e-31 -5.15274406e-10]
 [ 4.73178831e-31 -1.63913955e-31  5.15274406e-10]
 [-5.67814597e-31  1.09275970e-31  5.15274406e-10]]
stress =  [ 1.55724357e-11  1.55724357e-11 -4.92381427e-12 -2.68979303e-47
 -4.80674868e-48  2.43004434e-27]
energy per atom =  -4.629999292346358
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0