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:
Tersoff_LAMMPS_PlummerTucker_2019_TiSiC__MO_751442731010_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 12:44:45       -9.281071        21.930353
BFGS:    1 12:44:45      -12.203555        17.603487
BFGS:    2 12:44:45      -14.420435        15.961082
BFGS:    3 12:44:45      -16.098197        13.070475
BFGS:    4 12:44:45      -17.473041        10.869213
BFGS:    5 12:44:45      -18.657554        10.589651
BFGS:    6 12:44:45      -19.753232        10.732808
BFGS:    7 12:44:45      -20.821110        10.652540
BFGS:    8 12:44:45      -21.847421        10.191013
BFGS:    9 12:44:45      -22.792018         9.129716
BFGS:   10 12:44:45      -23.586502         7.197585
BFGS:   11 12:44:45      -24.165078         4.333921
BFGS:   12 12:44:45      -24.491494         4.206291
BFGS:   13 12:44:45      -24.674899         3.865724
BFGS:   14 12:44:45      -24.901315         3.810753
BFGS:   15 12:44:45      -25.071482         3.079514
BFGS:   16 12:44:45      -25.184414         1.797336
BFGS:   17 12:44:45      -25.306858         2.430012
BFGS:   18 12:44:46      -25.526835         2.899045
BFGS:   19 12:44:46      -25.757444         2.993185
BFGS:   20 12:44:46      -25.926108         1.911400
BFGS:   21 12:44:46      -25.975573         1.263328
BFGS:   22 12:44:46      -26.004558         0.620694
BFGS:   23 12:44:46      -26.008337         0.195108
BFGS:   24 12:44:46      -26.008748         0.015779
BFGS:   25 12:44:46      -26.008751         0.000213
BFGS:   26 12:44:46      -26.008751         0.000008
BFGS:   27 12:44:46      -26.008751         0.000000
BFGS:   28 12:44:46      -26.008751         0.000000
BFGS:   29 12:44:46      -26.008751         0.000000
Minimization converged after 29 steps.
Maximum force component: 5.047722201703166e-10 eV/Angstrom
Maximum stress component: 5.347495643789683e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'Si', 'Si']
basis =  [[3.33333330e-01 6.66666670e-01 5.00440450e-01]
 [6.66666663e-01 3.33333337e-01 4.40450434e-04]
 [3.33333330e-01 6.66666670e-01 8.75559550e-01]
 [6.66666663e-01 3.33333337e-01 3.75559550e-01]]
cellpar =  Cell([[3.526140589354421, -6.218975901579762e-18, -2.85911344171647e-35], [-1.7630702946772105, 3.0537273276963623, -9.16099100835239e-35], [2.8580217329463635e-35, -1.1480208568920217e-34, 5.755781181197182]])
forces =  [[ 1.15901436e-31 -2.00747175e-31 -5.04765424e-10]
 [ 1.15901436e-31 -2.00747175e-31 -5.04765424e-10]
 [ 2.50643645e-45 -1.00679477e-44  5.04772220e-10]
 [-1.73852154e-31  3.01120763e-31  5.04772220e-10]]
stress =  [-2.82219425e-12 -2.82219425e-12  5.34749564e-11 -2.24406746e-32
 -1.29561295e-32 -2.98965677e-28]
energy per atom =  -6.502187684984862
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0