element(s):
['C']
AFLOW prototype label:
A_tI8_139_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3798', '0.57333668', '0.81976373']
model name:
Tersoff_LAMMPS_PlummerTucker_2019_TiSiC__MO_751442731010_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.81976373 0.81976373 0.        ]]
spacegroup =  139
cell =  [[4.3798, 0, 0], [0, 4.3798, 0], [0, 0, 2.5111]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:29:31      -55.278274         1.942248
BFGS:    1 16:29:31      -55.273088         2.075139
BFGS:    2 16:29:31      -55.392666         0.553371
BFGS:    3 16:29:31      -55.397207         0.498337
BFGS:    4 16:29:31      -55.414954         0.179482
BFGS:    5 16:29:31      -55.417679         0.005443
BFGS:    6 16:29:31      -55.417682         0.000169
BFGS:    7 16:29:31      -55.417682         0.000103
BFGS:    8 16:29:31      -55.417682         0.000093
BFGS:    9 16:29:31      -55.417682         0.000080
BFGS:   10 16:29:31      -55.417682         0.000055
BFGS:   11 16:29:31      -55.417682         0.000012
BFGS:   12 16:29:31      -55.417682         0.000001
BFGS:   13 16:29:31      -55.417682         0.000000
BFGS:   14 16:29:31      -55.417682         0.000000
Minimization converged after 14 steps.
Maximum force component: 2.1202987680326406e-09 eV/Angstrom
Maximum stress component: 2.1947928055283194e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[8.17431599e-01 8.17431599e-01 7.57500005e-34]
 [1.82568401e-01 1.82568401e-01 7.57500005e-35]
 [1.82568401e-01 8.17431599e-01 7.57500005e-34]
 [8.17431599e-01 1.82568401e-01 1.51500001e-34]
 [3.17431599e-01 3.17431599e-01 5.00000000e-01]
 [6.82568401e-01 6.82568401e-01 5.00000000e-01]
 [6.82568401e-01 3.17431599e-01 5.00000000e-01]
 [3.17431599e-01 6.82568401e-01 5.00000000e-01]]
cellpar =  Cell([[4.38874099877822, 3.796289033034663e-37, 6.050170753451887e-33], [4.419533985058089e-37, 4.3887409987782195, 3.500387172732129e-18], [-2.812560078589641e-33, 2.0091202170180592e-18, 2.542481759467027]])
forces =  [[ 2.12029877e-09  2.12029877e-09  1.69111520e-27]
 [-2.12029877e-09 -2.12029877e-09 -1.69124055e-27]
 [-2.12029877e-09  2.12029877e-09  1.69122488e-27]
 [ 2.12029877e-09 -2.12029877e-09 -1.69111520e-27]
 [ 2.12029877e-09  2.12029877e-09  1.69105252e-27]
 [-2.12029877e-09 -2.12029877e-09 -1.69136591e-27]
 [-2.12029877e-09  2.12029877e-09  1.69105252e-27]
 [ 2.12029877e-09 -2.12029877e-09 -1.69111520e-27]]
stress =  [ 1.40048805e-10  1.40048805e-10 -2.19479281e-10  4.35255508e-26
 -5.52322412e-34  7.73885805e-50]
energy per atom =  -6.927210220537813
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0