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 15:37:40      -18.586148         0.437008
BFGS:    1 15:37:41      -18.589608         0.359577
BFGS:    2 15:37:41      -18.597034         0.139669
BFGS:    3 15:37:41      -18.598421         0.108671
BFGS:    4 15:37:41      -18.599214         0.044961
BFGS:    5 15:37:41      -18.599336         0.046399
BFGS:    6 15:37:41      -18.599505         0.038790
BFGS:    7 15:37:41      -18.599679         0.033467
BFGS:    8 15:37:41      -18.599790         0.020754
BFGS:    9 15:37:41      -18.599813         0.005329
BFGS:   10 15:37:41      -18.599815         0.000360
BFGS:   11 15:37:41      -18.599815         0.000031
BFGS:   12 15:37:41      -18.599815         0.000002
BFGS:   13 15:37:41      -18.599815         0.000000
BFGS:   14 15:37:41      -18.599815         0.000000
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, 7.23952076513586e-38], [-1.9199708976489271, 3.325487143781568, 3.039253780267769e-37], [-1.0929979814722972e-36, -1.530502499951325e-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 -3.54656096e-33
  1.37383367e-47 -7.01249147e-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