element(s):
['C', 'Si']
AFLOW prototype label:
A2B_cP12_205_c_a
Parameter names:
['a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.7882', '0.41797522']
model name:
EDIP_LAMMPS_LucasBertolusPizzagalli_2009_SiC__MO_634310164305_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Si']
representative atom coordinates =  [[0.41797522 0.41797522 0.41797522]
 [0.         0.         0.        ]]
spacegroup =  205
cell =  [[4.7882, 0, 0], [0, 4.7882, 0], [0, 0, 4.7882]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:23:58      -66.045358         6.833630
BFGS:    1 17:23:58      -68.016385         3.125172
BFGS:    2 17:23:58      -68.668183         1.094279
BFGS:    3 17:23:58      -68.748352         1.134292
BFGS:    4 17:23:58      -68.877230         1.104221
BFGS:    5 17:23:58      -68.992548         1.006781
BFGS:    6 17:23:58      -69.103867         1.101205
BFGS:    7 17:23:59      -69.209417         1.096435
BFGS:    8 17:23:59      -69.304610         0.971932
BFGS:    9 17:23:59      -69.381647         0.698945
BFGS:   10 17:23:59      -69.422984         0.168107
BFGS:   11 17:23:59      -69.425280         0.045499
BFGS:   12 17:23:59      -69.425532         0.000469
BFGS:   13 17:23:59      -69.425532         0.000006
BFGS:   14 17:23:59      -69.425532         0.000000
BFGS:   15 17:23:59      -69.425532         0.000000
Minimization converged after 15 steps.
Maximum force component: 4.801706123371605e-11 eV/Angstrom
Maximum stress component: 1.564362058770286e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.40471705 0.40471705 0.40471705]
 [0.09528295 0.59528295 0.90471705]
 [0.59528295 0.90471705 0.09528295]
 [0.90471705 0.09528295 0.59528295]
 [0.59528295 0.59528295 0.59528295]
 [0.90471705 0.40471705 0.09528295]
 [0.40471705 0.09528295 0.90471705]
 [0.09528295 0.90471705 0.40471705]
 [0.         0.         0.        ]
 [0.5        0.         0.5       ]
 [0.         0.5        0.5       ]
 [0.5        0.5        0.        ]]
cellpar =  Cell([[4.636227781813035, -1.0127613774730912e-35, 0.0], [1.3767833251541426e-36, 4.636227781813035, 0.0], [0.0, 0.0, 4.636227781813035]])
forces =  [[-4.80170612e-11 -4.80170612e-11 -4.80170612e-11]
 [ 4.80170612e-11  4.80170612e-11 -4.80170612e-11]
 [ 4.80170612e-11 -4.80170612e-11  4.80170612e-11]
 [-4.80170612e-11  4.80170612e-11  4.80170612e-11]
 [ 4.80170612e-11  4.80170612e-11  4.80170612e-11]
 [-4.80170612e-11 -4.80170612e-11  4.80170612e-11]
 [-4.80170612e-11  4.80170612e-11 -4.80170612e-11]
 [ 4.80170612e-11 -4.80170612e-11 -4.80170612e-11]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [1.56436206e-12 1.56436206e-12 1.56436206e-12 0.00000000e+00
 0.00000000e+00 6.11673482e-33]
energy per atom =  -5.785460978059521
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0