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_GWZBL_Samolyuk_2016_SiC__SM_720598599889_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      -25.640090        0.3579
BFGS:    1 15:41:15      -25.643686        0.2307
BFGS:    2 15:41:15      -25.645836        0.1169
BFGS:    3 15:41:15      -25.646934        0.0914
BFGS:    4 15:41:15      -25.647658        0.0404
BFGS:    5 15:41:15      -25.647721        0.0115
BFGS:    6 15:41:15      -25.647734        0.0160
BFGS:    7 15:41:15      -25.647752        0.0205
BFGS:    8 15:41:15      -25.647783        0.0208
BFGS:    9 15:41:15      -25.647808        0.0131
BFGS:   10 15:41:15      -25.647817        0.0048
BFGS:   11 15:41:15      -25.647818        0.0006
BFGS:   12 15:41:15      -25.647818        0.0000
BFGS:   13 15:41:15      -25.647818        0.0000
BFGS:   14 15:41:15      -25.647818        0.0000
BFGS:   15 15:41:15      -25.647818        0.0000
Minimization converged after 15 steps.
Maximum force component: 9.018321645015702e-10 eV/Angstrom
Maximum stress component: 2.9969918243315906e-11 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 5.00000008e-04]
 [3.33333330e-01 6.66666670e-01 8.75500000e-01]
 [6.66666663e-01 3.33333337e-01 3.75500000e-01]]
cellpar =  Cell([[3.083000337643936, 1.9119236118940306e-18, -1.2271545589426877e-37], [-1.541500168821968, 2.669956612275651, 1.1249236046896026e-36], [4.837289439656302e-36, -5.134728630015581e-36, 5.034518469575139]])
forces =  [[-4.05343073e-31  9.19523262e-46 -9.01824171e-10]
 [-8.66494892e-46  9.19774635e-46 -9.01824171e-10]
 [-4.05343073e-31  7.02074797e-31  9.01832165e-10]
 [ 4.05343073e-31 -9.19531414e-46  9.01832165e-10]]
stress =  [-9.20207088e-12 -9.20207088e-12 -2.99699182e-11  6.30190230e-46
 -3.38826730e-32 -4.35270906e-27]
energy per atom =  -6.411954566869777
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0