element(s):
['C']
AFLOW prototype label:
A_cI16_206_c
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.4773', '0.15607601']
model name:
Tersoff_LAMMPS_PlummerRathodSrivastava_2021_TiAlC__MO_992900971352_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.15607601 0.15607601 0.15607601]]
spacegroup =  206
cell =  [[4.4773, 0, 0], [0, 4.4773, 0], [0, 0, 4.4773]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:37:30     -105.326804        1.5288
BFGS:    1 17:37:30     -105.465667        0.6781
BFGS:    2 17:37:30     -105.510950        0.4118
BFGS:    3 17:37:30     -105.519761        0.3814
BFGS:    4 17:37:30     -105.552128        0.3342
BFGS:    5 17:37:30     -105.582915        0.4071
BFGS:    6 17:37:30     -105.606485        0.2741
BFGS:    7 17:37:30     -105.613258        0.0679
BFGS:    8 17:37:30     -105.613674        0.0100
BFGS:    9 17:37:30     -105.613694        0.0002
BFGS:   10 17:37:30     -105.613694        0.0000
BFGS:   11 17:37:30     -105.613694        0.0000
BFGS:   12 17:37:30     -105.613694        0.0000
Minimization converged after 12 steps.
Maximum force component: 1.942462038440063e-09 eV/Angstrom
Maximum stress component: 3.099179985546001e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.15374361 0.15374361 0.15374361]
 [0.34625639 0.84625639 0.65374361]
 [0.84625639 0.65374361 0.34625639]
 [0.65374361 0.34625639 0.84625639]
 [0.65374361 0.65374361 0.65374361]
 [0.84625639 0.34625639 0.15374361]
 [0.34625639 0.15374361 0.84625639]
 [0.15374361 0.84625639 0.34625639]
 [0.84625639 0.84625639 0.84625639]
 [0.65374361 0.15374361 0.34625639]
 [0.15374361 0.34625639 0.65374361]
 [0.34625639 0.65374361 0.15374361]
 [0.34625639 0.34625639 0.34625639]
 [0.15374361 0.65374361 0.84625639]
 [0.65374361 0.84625639 0.15374361]
 [0.84625639 0.15374361 0.65374361]]
cellpar =  Cell([[4.428542796797882, 1.3888201628065073e-36, 0.0], [-6.753109249031585e-37, 4.428542796797882, 0.0], [0.0, 0.0, 4.428542796797882]])
forces =  [[ 1.94246204e-09  1.94246204e-09  1.94246204e-09]
 [-1.94246204e-09 -1.94246204e-09  1.94246204e-09]
 [-1.94246204e-09  1.94246204e-09 -1.94246204e-09]
 [ 1.94246204e-09 -1.94246204e-09 -1.94246204e-09]
 [ 1.94246204e-09  1.94246204e-09  1.94246204e-09]
 [-1.94246204e-09 -1.94246204e-09  1.94246204e-09]
 [-1.94246204e-09  1.94246204e-09 -1.94246204e-09]
 [ 1.94246204e-09 -1.94246204e-09 -1.94246204e-09]
 [-1.94246204e-09 -1.94246204e-09 -1.94246204e-09]
 [ 1.94246204e-09  1.94246204e-09 -1.94246204e-09]
 [ 1.94246204e-09 -1.94246204e-09  1.94246204e-09]
 [-1.94246204e-09  1.94246204e-09  1.94246204e-09]
 [-1.94246204e-09 -1.94246204e-09 -1.94246204e-09]
 [ 1.94246204e-09  1.94246204e-09 -1.94246204e-09]
 [ 1.94246204e-09 -1.94246204e-09  1.94246204e-09]
 [-1.94246204e-09  1.94246204e-09  1.94246204e-09]]
stress =  [ 3.09917999e-10  3.09917999e-10  3.09917999e-10  0.00000000e+00
  0.00000000e+00 -6.70389944e-33]
energy per atom =  -6.6008558848082135
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0