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 17:29:05      -56.448330         1.156751
BFGS:    1 17:29:05      -56.464474         1.145700
BFGS:    2 17:29:05      -56.496340         1.006069
BFGS:    3 17:29:05      -56.541837         0.729812
BFGS:    4 17:29:05      -56.571816         0.473269
BFGS:    5 17:29:05      -56.589375         0.232741
BFGS:    6 17:29:05      -56.595665         0.137850
BFGS:    7 17:29:05      -56.596430         0.138259
BFGS:    8 17:29:05      -56.598852         0.109382
BFGS:    9 17:29:05      -56.600167         0.107703
BFGS:   10 17:29:05      -56.600902         0.057418
BFGS:   11 17:29:05      -56.601010         0.013661
BFGS:   12 17:29:05      -56.601017         0.000716
BFGS:   13 17:29:05      -56.601017         0.000053
BFGS:   14 17:29:05      -56.601017         0.000008
BFGS:   15 17:29:05      -56.601017         0.000001
BFGS:   16 17:29:05      -56.601017         0.000000
BFGS:   17 17:29:05      -56.601017         0.000000
Minimization converged after 17 steps.
Maximum force component: 2.2636753430928255e-09 eV/Angstrom
Maximum stress component: 2.847479386049038e-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, -3.204382038047509e-36, -3.714740528690293e-35], [-4.458668142185485e-36, 4.372434017896856, 2.4253958232779986e-18], [5.6382896111712864e-33, 1.422564404617455e-18, 2.5918210845733443]])
forces =  [[ 2.26367534e-09  2.26367534e-09  1.25576001e-27]
 [-2.26367534e-09 -2.26367534e-09 -1.25566417e-27]
 [-2.26367534e-09  2.26367534e-09  1.25566417e-27]
 [ 2.26367534e-09 -2.26367534e-09 -1.25576001e-27]
 [ 2.26367534e-09  2.26367534e-09  1.25573605e-27]
 [-2.26367534e-09 -2.26367534e-09 -1.25566417e-27]
 [-2.26367534e-09  2.26367534e-09  1.25566417e-27]
 [ 2.26367534e-09 -2.26367534e-09 -1.25560027e-27]]
stress =  [ 2.84747939e-10  2.84747939e-10  2.53849229e-10 -2.15762186e-28
 -1.08765754e-33  9.39820302e-50]
energy per atom =  -7.075127133250749
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0