element(s):
['C']
AFLOW prototype label:
A_hP4_194_bc
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4677', '3.3769097']
model name:
Sim_LAMMPS_EDIP_LucasBertolusPizzagalli_2009_SiC__SM_435704953434_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.25      ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 8.3332]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:22:17      -28.952873        2.7191
BFGS:    1 15:22:17      -29.143222        2.1832
BFGS:    2 15:22:17      -29.327755        1.5104
BFGS:    3 15:22:17      -29.445874        0.8546
BFGS:    4 15:22:17      -29.499157        0.2133
BFGS:    5 15:22:17      -29.502750        0.0029
BFGS:    6 15:22:17      -29.502751        0.0000
BFGS:    7 15:22:17      -29.502751        0.0000
Minimization converged after 7 steps.
Maximum force component: 1.449805087107329e-30 eV/Angstrom
Maximum stress component: 3.427695404553691e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[3.41677331e-35 0.00000000e+00 2.50000000e-01]
 [0.00000000e+00 0.00000000e+00 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.5946065254854767, 1.8295593800050424e-17, 1.3809694921857283e-38], [-1.2973032627427383, 2.2469951638952983, -1.3440620029191605e-38], [-1.438691573257817e-36, 7.448043225791319e-37, 8.333199999999998]])
forces =  [[ 1.44980509e-30 -7.38569433e-31  9.86478909e-69]
 [-1.40716376e-30  6.64712490e-31 -9.42300660e-69]
 [-5.11695913e-31  2.95427773e-31 -3.58278469e-69]
 [ 4.90375250e-31 -2.58499302e-31  3.36189344e-69]]
stress =  [-3.42769540e-11 -3.42769540e-11 -2.59096375e-84  3.06360384e-48
 -5.91777048e-48 -3.21338212e-27]
energy per atom =  -7.37568769425582
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0