element(s):
['C']
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:
['2.5124', '1.6642254', '0.062750617']
model name:
Sim_LAMMPS_EDIP_LucasBertolusPizzagalli_2009_SiC__SM_435704953434_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.33333333 0.66666667 0.06275062]]
spacegroup =  194
cell =  [[2.5124, 0, 0], [-1.2562, 2.175802224468, 0], [0, 0, 4.1812]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:32:23      -29.475373         0.659676
BFGS:    1 15:32:23      -29.480244         0.497116
BFGS:    2 15:32:23      -29.489356         0.326837
BFGS:    3 15:32:23      -29.497049         0.046493
BFGS:    4 15:32:23      -29.497109         0.039526
BFGS:    5 15:32:23      -29.497254         0.005116
BFGS:    6 15:32:23      -29.497256         0.001059
BFGS:    7 15:32:23      -29.497256         0.000018
BFGS:    8 15:32:23      -29.497256         0.000001
BFGS:    9 15:32:23      -29.497256         0.000000
Minimization converged after 9 steps.
Maximum force component: 8.601129464568113e-10 eV/Angstrom
Maximum stress component: 5.289561258037456e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[0.33333333 0.66666667 0.0625    ]
 [0.66666666 0.33333334 0.5625    ]
 [0.66666666 0.33333334 0.9375    ]
 [0.33333333 0.66666667 0.4375    ]]
cellpar =  Cell([[2.518213737288103, 5.307731569152599e-19, 3.940046821193536e-41], [-1.2591068686440514, 2.18083706865045, -1.3341322684895349e-40], [2.3695620660748866e-37, 5.983541734461367e-37, 4.112225812549491]])
forces =  [[-1.32434691e-30  2.86729517e-31 -8.60112946e-10]
 [ 1.48989028e-30 -7.16823793e-31 -8.60112946e-10]
 [ 1.57266196e-30 -1.43364759e-31  8.60112946e-10]
 [-9.93260184e-31 -4.30094276e-31  8.60112946e-10]]
stress =  [ 2.99841697e-10  2.99841697e-10 -5.28956126e-10  9.16281726e-34
  1.58704650e-33 -4.35026470e-27]
energy per atom =  -7.374314033582735
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0