element(s):
['Si', 'Ti']
AFLOW prototype label:
AB_oC4_65_a_c
Parameter names:
['a', 'b/a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6945', '1.1769928', '1.0407362']
model name:
Tersoff_LAMMPS_PlummerTucker_2019_TiSiC__MO_751442731010_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si', 'Ti']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.  0.5]]
spacegroup =  65
cell =  [[3.6945, 0, 0], [0, 4.3484, 0], [0, 0, 3.845]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:15:01      -25.157525        2.9775
BFGS:    1 16:15:01      -25.299411        2.7211
BFGS:    2 16:15:01      -25.445209        2.4176
BFGS:    3 16:15:01      -25.572921        2.1093
BFGS:    4 16:15:01      -25.686957        1.7945
BFGS:    5 16:15:01      -25.791162        1.4907
BFGS:    6 16:15:01      -25.888528        1.8144
BFGS:    7 16:15:01      -25.975518        2.1125
BFGS:    8 16:15:01      -26.054121        2.3609
BFGS:    9 16:15:01      -26.139603        2.5293
BFGS:   10 16:15:01      -26.231928        2.6243
BFGS:   11 16:15:01      -26.325690        2.6174
BFGS:   12 16:15:01      -26.414454        2.5398
BFGS:   13 16:15:01      -26.498938        2.3997
BFGS:   14 16:15:01      -26.574668        2.2240
BFGS:   15 16:15:01      -26.645241        1.9969
BFGS:   16 16:15:01      -26.711937        1.7234
BFGS:   17 16:15:01      -26.774930        1.4083
BFGS:   18 16:15:01      -26.833099        1.2053
BFGS:   19 16:15:01      -26.883620        0.9154
BFGS:   20 16:15:01      -26.920947        0.5141
BFGS:   21 16:15:01      -26.932989        0.1652
BFGS:   22 16:15:01      -26.934389        0.0801
BFGS:   23 16:15:01      -26.934954        0.0485
BFGS:   24 16:15:01      -26.935052        0.0430
BFGS:   25 16:15:01      -26.935163        0.0331
BFGS:   26 16:15:01      -26.935278        0.0199
BFGS:   27 16:15:01      -26.935344        0.0098
BFGS:   28 16:15:01      -26.935356        0.0032
BFGS:   29 16:15:01      -26.935357        0.0003
BFGS:   30 16:15:01      -26.935357        0.0000
BFGS:   31 16:15:01      -26.935357        0.0000
BFGS:   32 16:15:01      -26.935357        0.0000
BFGS:   33 16:15:01      -26.935357        0.0000
Minimization converged after 33 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.115234010172469e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Ti', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0. ]
 [0.5 0.  0.5]
 [0.  0.5 0.5]]
cellpar =  Cell([[4.3420082487177725, 3.942989195997312e-36, 0.0], [1.964174080460821e-35, 4.3420082486190825, 0.0], [0.0, 0.0, 3.070263476548515]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.28630063e-11 -3.11523401e-11 -2.52635197e-11  0.00000000e+00
  0.00000000e+00 -6.53791351e-34]
energy per atom =  -6.733839267569636
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is AB_oC4_65_a_c, while relaxed is AB_cP2_221_a_b. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.