element(s):
['C']
AFLOW prototype label:
A_tI8_139_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3798', '0.57333668', '0.81976373']
model name:
EDIP_LAMMPS_LucasBertolusPizzagalli_2009_SiC__MO_634310164305_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.81976373 0.81976373 0.        ]]
spacegroup =  139
cell =  [[4.3798, 0, 0], [0, 4.3798, 0], [0, 0, 2.5111]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:16:09      -56.448330        1.1568
BFGS:    1 17:16:09      -56.464474        1.1457
BFGS:    2 17:16:09      -56.496340        1.0061
BFGS:    3 17:16:09      -56.541837        0.7298
BFGS:    4 17:16:09      -56.571816        0.4733
BFGS:    5 17:16:09      -56.589375        0.2327
BFGS:    6 17:16:09      -56.595665        0.1378
BFGS:    7 17:16:09      -56.596430        0.1383
BFGS:    8 17:16:09      -56.598852        0.1094
BFGS:    9 17:16:09      -56.600167        0.1077
BFGS:   10 17:16:09      -56.600902        0.0574
BFGS:   11 17:16:09      -56.601010        0.0137
BFGS:   12 17:16:09      -56.601017        0.0007
BFGS:   13 17:16:09      -56.601017        0.0001
BFGS:   14 17:16:09      -56.601017        0.0000
BFGS:   15 17:16:09      -56.601017        0.0000
BFGS:   16 17:16:09      -56.601017        0.0000
BFGS:   17 17:16:09      -56.601017        0.0000
Minimization converged after 17 steps.
Maximum force component: 2.263681302301646e-09 eV/Angstrom
Maximum stress component: 2.8474997034562723e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.81868867 0.81868867 0.        ]
 [0.18131133 0.18131133 0.        ]
 [0.18131133 0.81868867 0.        ]
 [0.81868867 0.18131133 0.        ]
 [0.31868867 0.31868867 0.5       ]
 [0.68131133 0.68131133 0.5       ]
 [0.68131133 0.31868867 0.5       ]
 [0.31868867 0.68131133 0.5       ]]
cellpar =  Cell([[4.372434017896857, -1.214883177621426e-35, 9.511443512759653e-33], [-1.2399470512613777e-35, 4.372434017896857, 2.2351797986897208e-17], [-2.108721398337089e-33, 1.2896248892850897e-17, 2.591821084573346]])
forces =  [[ 2.26368130e-09  2.26368130e-09  1.15718790e-26]
 [-2.26368130e-09 -2.26368130e-09 -1.15718950e-26]
 [-2.26368130e-09  2.26368130e-09  1.15719269e-26]
 [ 2.26368130e-09 -2.26368130e-09 -1.15719029e-26]
 [ 2.26368130e-09  2.26368130e-09  1.15718191e-26]
 [-2.26368130e-09 -2.26368130e-09 -1.15718950e-26]
 [-2.26368130e-09  2.26368130e-09  1.15719269e-26]
 [ 2.26368130e-09 -2.26368130e-09 -1.15719429e-26]]
stress =  [ 2.84749970e-10  2.84749970e-10  2.53853131e-10 -2.81833618e-26
  1.59103791e-43 -1.75309618e-59]
energy per atom =  -7.07512713325075
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0