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:
EDIP_LAMMPS_JustoBazantKaxiras_1998_Si__MO_315965276297_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 15:31:13      -18.586148        0.4370
BFGS:    1 15:31:13      -18.589608        0.3596
BFGS:    2 15:31:13      -18.597034        0.1397
BFGS:    3 15:31:13      -18.598421        0.1087
BFGS:    4 15:31:13      -18.599214        0.0450
BFGS:    5 15:31:13      -18.599336        0.0464
BFGS:    6 15:31:13      -18.599505        0.0388
BFGS:    7 15:31:13      -18.599679        0.0335
BFGS:    8 15:31:13      -18.599790        0.0208
BFGS:    9 15:31:13      -18.599813        0.0053
BFGS:   10 15:31:13      -18.599815        0.0004
BFGS:   11 15:31:13      -18.599815        0.0000
BFGS:   12 15:31:13      -18.599815        0.0000
BFGS:   13 15:31:13      -18.599815        0.0000
BFGS:   14 15:31:13      -18.599815        0.0000
Minimization converged after 14 steps.
Maximum force component: 3.1282032729608977e-10 eV/Angstrom
Maximum stress component: 1.498255399033767e-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([[3.8399417952978543, 1.2982278944535002e-18, 7.785913619779044e-39], [-1.9199708976489271, 3.325487143781568, -1.049002417914148e-37], [-2.8354133677008012e-36, -8.26017918601686e-36, 6.270598693792736]])
forces =  [[-2.36654684e-31 -3.00591821e-31 -3.12820327e-10]
 [-6.31079158e-32 -3.27918350e-31 -3.12820327e-10]
 [ 1.10438853e-31  3.00591821e-31  3.12820327e-10]
 [ 6.31079158e-32  3.27918350e-31  3.12820327e-10]]
stress =  [ 2.99518300e-12  2.99518300e-12  1.49825540e-11 -4.72874795e-33
  1.62285259e-47 -6.51083386e-28]
energy per atom =  -4.64995380173731
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0