element(s):
['C', 'Si']
AFLOW prototype label:
AB_hP8_186_ab_ab
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0934', '3.2733562', '0.00019436728', '0.18764075', '0.74957521', '0.93758968']
model name:
MEAM_LAMMPS_Wagner_2007_SiC__MO_430846853065_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'Si', 'Si']
representative atom coordinates =  [[0.0000000e+00 0.0000000e+00 1.9436728e-04]
 [3.3333333e-01 6.6666667e-01 7.4957521e-01]
 [0.0000000e+00 0.0000000e+00 1.8764075e-01]
 [3.3333333e-01 6.6666667e-01 9.3758968e-01]]
spacegroup =  186
cell =  [[3.0934, 0, 0], [-1.5467, 2.6789629840668, 0], [0, 0, 10.1258]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:57:07      -51.447616        0.4469
BFGS:    1 15:57:07      -51.450030        0.3116
BFGS:    2 15:57:07      -51.453108        0.1702
BFGS:    3 15:57:07      -51.454656        0.1809
BFGS:    4 15:57:07      -51.458053        0.1866
BFGS:    5 15:57:07      -51.459511        0.1314
BFGS:    6 15:57:07      -51.459948        0.0311
BFGS:    7 15:57:07      -51.459978        0.0069
BFGS:    8 15:57:07      -51.459981        0.0070
BFGS:    9 15:57:07      -51.459985        0.0070
BFGS:   10 15:57:07      -51.459992        0.0065
BFGS:   11 15:57:07      -51.459997        0.0051
BFGS:   12 15:57:07      -51.460000        0.0023
BFGS:   13 15:57:07      -51.460000        0.0004
BFGS:   14 15:57:07      -51.460000        0.0000
BFGS:   15 15:57:07      -51.460000        0.0000
BFGS:   16 15:57:07      -51.460000        0.0000
BFGS:   17 15:57:07      -51.460000        0.0000
BFGS:   18 15:57:07      -51.460000        0.0000
BFGS:   19 15:57:07      -51.460000        0.0000
Minimization converged after 19 steps.
Maximum force component: 2.875046145600635e-09 eV/Angstrom
Maximum stress component: 9.901019653481232e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si']
basis =  [[1.55733391e-35 0.00000000e+00 1.82063734e-09]
 [0.00000000e+00 8.14617202e-36 5.00000002e-01]
 [3.33333333e-01 6.66666667e-01 7.50000002e-01]
 [6.66666667e-01 3.33333333e-01 2.50000002e-01]
 [0.00000000e+00 2.57335164e-36 1.87500002e-01]
 [3.32370603e-36 0.00000000e+00 6.87500002e-01]
 [3.33333333e-01 6.66666667e-01 9.37500002e-01]
 [6.66666667e-01 3.33333333e-01 4.37500002e-01]]
cellpar =  Cell([[3.082764488483636, 2.223943581403428e-18, 1.6514379623930546e-38], [-1.541382244241818, 2.66975236091137, 7.018702782579958e-38], [-4.537511296749751e-37, -3.1865591463211317e-37, 10.068266658878438]])
forces =  [[-7.50955315e-47 -5.27373569e-47  1.66629191e-09]
 [-3.03984048e-31  1.75505272e-31  1.66629191e-09]
 [ 5.06640080e-31 -1.75505272e-31  2.18974103e-09]
 [ 1.01328016e-31  3.51010544e-31  2.18974103e-09]
 [ 1.01328016e-31  9.10669605e-47 -2.87504615e-09]
 [ 1.29571006e-46  9.09938612e-47 -2.87504615e-09]
 [ 5.06640080e-31 -1.75505272e-31 -9.80986736e-10]
 [-6.07968096e-31  3.51010544e-31 -9.80986736e-10]]
stress =  [-9.90101965e-11 -9.90101965e-11  9.23077792e-11  3.66846819e-33
  5.72425686e-46 -6.50140239e-26]
energy per atom =  -6.432499999995336
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0