element(s):
['C', 'Si']
AFLOW prototype label:
AB_hP4_186_b_b
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0918', '1.6407271', '8.9172044e-05', '0.37591083']
model name:
Sim_LAMMPS_MEAM_Wagner_2007_SiC__SM_264944083668_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.50008917]
 [0.33333333 0.66666667 0.87591083]]
spacegroup =  186
cell =  [[3.0918, 0, 0], [-1.5459, 2.6775773434207, 0], [0, 0, 5.0728]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:41:15      -25.719862        0.5327
BFGS:    1 15:41:15      -25.721200        0.5740
BFGS:    2 15:41:15      -25.726497        0.1930
BFGS:    3 15:41:15      -25.727617        0.1846
BFGS:    4 15:41:15      -25.729868        0.0620
BFGS:    5 15:41:15      -25.729956        0.0209
BFGS:    6 15:41:15      -25.729969        0.0111
BFGS:    7 15:41:15      -25.729980        0.0140
BFGS:    8 15:41:15      -25.729994        0.0157
BFGS:    9 15:41:15      -25.729999        0.0072
BFGS:   10 15:41:15      -25.730000        0.0011
BFGS:   11 15:41:15      -25.730000        0.0001
BFGS:   12 15:41:15      -25.730000        0.0000
BFGS:   13 15:41:15      -25.730000        0.0000
BFGS:   14 15:41:15      -25.730000        0.0000
Minimization converged after 14 steps.
Maximum force component: 2.3992527964367136e-09 eV/Angstrom
Maximum stress component: 1.4852251791739954e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'Si', 'Si']
basis =  [[3.33333330e-01 6.66666670e-01 5.00500000e-01]
 [6.66666663e-01 3.33333337e-01 4.99999999e-04]
 [3.33333330e-01 6.66666670e-01 8.75500000e-01]
 [6.66666663e-01 3.33333337e-01 3.75500000e-01]]
cellpar =  Cell([[3.082764488505824, -1.0705064528870292e-18, 4.029909151632205e-37], [-1.541382244252912, 2.669752360930585, 7.483714584325284e-37], [1.2577352564460092e-36, -5.582893466045732e-36, 5.0341333294888795]])
forces =  [[-2.53320040e-31  4.38763180e-31  2.39925280e-09]
 [ 1.01328016e-30 -3.51010544e-31  2.39925280e-09]
 [-5.99432839e-46  2.66079023e-45 -2.39925280e-09]
 [-5.06640080e-32  8.77526360e-32 -2.39925280e-09]]
stress =  [-7.91704094e-11 -7.91704094e-11  1.48522518e-10 -6.11411366e-34
 -1.05899555e-33 -8.77810820e-28]
energy per atom =  -6.4324999999953345
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0