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_JustoBazantKaxiras_1998_Si__MO_958932894036_002
==== 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 15:31:05      -18.586148        0.4370
BFGS:    1 15:31:05      -18.589608        0.3596
BFGS:    2 15:31:05      -18.597034        0.1397
BFGS:    3 15:31:05      -18.598421        0.1087
BFGS:    4 15:31:05      -18.599214        0.0450
BFGS:    5 15:31:05      -18.599336        0.0464
BFGS:    6 15:31:05      -18.599505        0.0388
BFGS:    7 15:31:05      -18.599679        0.0335
BFGS:    8 15:31:05      -18.599790        0.0208
BFGS:    9 15:31:05      -18.599813        0.0053
BFGS:   10 15:31:05      -18.599815        0.0004
BFGS:   11 15:31:05      -18.599815        0.0000
BFGS:   12 15:31:05      -18.599815        0.0000
BFGS:   13 15:31:05      -18.599815        0.0000
BFGS:   14 15:31:05      -18.599815        0.0000
Minimization converged after 14 steps.
Maximum force component: 3.1374193861670767e-10 eV/Angstrom
Maximum stress component: 1.5120770886348768e-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([[3.8399417946561534, 2.6283857778277967e-18, -1.1800747738920707e-37], [-1.9199708973280767, 3.3254871432258355, -3.0293245237678404e-36], [-2.5003202407176808e-36, -3.1886087978166386e-36, 6.270598692745439]])
forces =  [[-6.31079158e-31  6.55836700e-31 -3.13741939e-10]
 [ 7.57294990e-31 -4.37224466e-31 -3.13741939e-10]
 [ 3.78647495e-31 -2.18612233e-31  3.13741939e-10]
 [-5.04863327e-31 -1.59883816e-46  3.13741939e-10]]
stress =  [3.07440132e-12 3.07440132e-12 1.51207709e-11 1.97031165e-34
 3.41267988e-34 6.42759407e-28]
energy per atom =  -4.649953816460917
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0