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_JiangMorganSzlufarska_2012_SiC__MO_667792548433_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 14:59:37      -66.045358        6.8336
BFGS:    1 14:59:37      -68.016385        3.1252
BFGS:    2 14:59:37      -68.668183        1.0943
BFGS:    3 14:59:37      -68.748352        1.1343
BFGS:    4 14:59:37      -68.877230        1.1042
BFGS:    5 14:59:37      -68.992548        1.0068
BFGS:    6 14:59:37      -69.103867        1.1012
BFGS:    7 14:59:37      -69.209417        1.0964
BFGS:    8 14:59:37      -69.304610        0.9719
BFGS:    9 14:59:37      -69.381647        0.6989
BFGS:   10 14:59:37      -69.422984        0.1681
BFGS:   11 14:59:37      -69.425280        0.0455
BFGS:   12 14:59:37      -69.425532        0.0005
BFGS:   13 14:59:37      -69.425532        0.0000
BFGS:   14 14:59:37      -69.425532        0.0000
BFGS:   15 14:59:37      -69.425532        0.0000
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 =  [[4.04717055e-01 4.04717055e-01 4.04717055e-01]
 [9.52829454e-02 5.95282945e-01 9.04717055e-01]
 [5.95282945e-01 9.04717055e-01 9.52829454e-02]
 [9.04717055e-01 9.52829454e-02 5.95282945e-01]
 [5.95282945e-01 5.95282945e-01 5.95282945e-01]
 [9.04717055e-01 4.04717055e-01 9.52829454e-02]
 [4.04717055e-01 9.52829454e-02 9.04717055e-01]
 [9.52829454e-02 9.04717055e-01 4.04717055e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 7.20619444e-53 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.636227781813035, 2.4753064757485876e-36, 0.0], [-2.823954883754491e-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