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:
MEAM_LAMMPS_Wagner_2007_SiC__MO_430846853065_002
==== 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 14:52:06      -25.719862         0.532675
BFGS:    1 14:52:06      -25.721200         0.573989
BFGS:    2 14:52:06      -25.726497         0.192973
BFGS:    3 14:52:06      -25.727617         0.184555
BFGS:    4 14:52:06      -25.729868         0.061985
BFGS:    5 14:52:06      -25.729956         0.020869
BFGS:    6 14:52:06      -25.729969         0.011124
BFGS:    7 14:52:07      -25.729980         0.014018
BFGS:    8 14:52:07      -25.729994         0.015679
BFGS:    9 14:52:07      -25.729999         0.007221
BFGS:   10 14:52:07      -25.730000         0.001073
BFGS:   11 14:52:07      -25.730000         0.000052
BFGS:   12 14:52:07      -25.730000         0.000004
BFGS:   13 14:52:07      -25.730000         0.000000
BFGS:   14 14:52:07      -25.730000         0.000000
Minimization converged after 14 steps.
Maximum force component: 2.3992134945416414e-09 eV/Angstrom
Maximum stress component: 1.4852041690378912e-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([[3.082764488505823, 9.910296396893348e-19, -2.4783717597893586e-36], [-1.5413822442529115, 2.669752360930583, 1.4983780096124475e-36], [-1.2648263253375042e-37, 1.9010671902771272e-36, 5.034133329488875]])
forces =  [[ 4.05312064e-31  7.02021088e-31  2.39921344e-09]
 [ 8.10624128e-31  9.06288634e-46  2.39921344e-09]
 [ 6.02802546e-47 -9.06028061e-46 -2.39921349e-09]
 [ 6.02802546e-47 -9.06028061e-46 -2.39921349e-09]]
stress =  [-7.91692259e-11 -7.91692259e-11  1.48520417e-10  1.58949282e-45
  6.62667767e-46  3.30893565e-26]
energy per atom =  -6.432499999995337
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0