element(s):
['Si']
AFLOW prototype label:
A_oF16_69_gh
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['9.2787', '0.57961783', '0.52892108', '0.27623302', '0.77184474']
model name:
Tersoff_LAMMPS_PlummerTucker_2019_TiSiC__MO_751442731010_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si', 'Si']
representative atom coordinates =  [[0.         0.27623302 0.        ]
 [0.22815526 0.         0.        ]]
spacegroup =  69
cell =  [[5.3781, 0, 0], [0, 9.2787, 0], [0, 0, 4.9077]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:00:44      -55.975463        11.651587
BFGS:    1 16:00:44      -59.338335        10.354784
BFGS:    2 16:00:44      -62.080117         7.235364
BFGS:    3 16:00:44      -63.485553         3.161112
BFGS:    4 16:00:44      -63.824374         2.327920
BFGS:    5 16:00:44      -64.114524         2.209453
BFGS:    6 16:00:44      -64.361284         2.084771
BFGS:    7 16:00:44      -64.570520         1.955795
BFGS:    8 16:00:44      -64.746719         1.824123
BFGS:    9 16:00:44      -64.893722         1.691115
BFGS:   10 16:00:44      -65.015047         1.557932
BFGS:   11 16:00:44      -65.114047         1.425563
BFGS:   12 16:00:44      -65.193974         1.294839
BFGS:   13 16:00:44      -65.257991         1.166445
BFGS:   14 16:00:44      -65.309154         1.040934
BFGS:   15 16:00:44      -65.350344         0.918730
BFGS:   16 16:00:44      -65.384180         0.800135
BFGS:   17 16:00:44      -65.412900         0.685334
BFGS:   18 16:00:44      -65.438255         0.574404
BFGS:   19 16:00:44      -65.461450         0.467327
BFGS:   20 16:00:44      -65.483159         0.364015
BFGS:   21 16:00:44      -65.503573         0.264324
BFGS:   22 16:00:44      -65.522445         0.197028
BFGS:   23 16:00:44      -65.539048         0.148129
BFGS:   24 16:00:44      -65.551908         0.101583
BFGS:   25 16:00:44      -65.556982         0.078111
BFGS:   26 16:00:44      -65.558293         0.067505
BFGS:   27 16:00:44      -65.559172         0.056010
BFGS:   28 16:00:44      -65.559262         0.053882
BFGS:   29 16:00:44      -65.559346         0.050491
BFGS:   30 16:00:44      -65.559507         0.041217
BFGS:   31 16:00:44      -65.559735         0.023728
BFGS:   32 16:00:44      -65.559907         0.012028
BFGS:   33 16:00:44      -65.559960         0.014207
BFGS:   34 16:00:44      -65.559968         0.013470
BFGS:   35 16:00:44      -65.559972         0.012498
BFGS:   36 16:00:44      -65.559982         0.009901
BFGS:   37 16:00:44      -65.559996         0.005829
BFGS:   38 16:00:44      -65.560010         0.003453
BFGS:   39 16:00:44      -65.560017         0.002350
BFGS:   40 16:00:44      -65.560019         0.001041
BFGS:   41 16:00:44      -65.560019         0.000476
BFGS:   42 16:00:44      -65.560019         0.000163
BFGS:   43 16:00:44      -65.560019         0.000050
BFGS:   44 16:00:44      -65.560019         0.000007
BFGS:   45 16:00:44      -65.560019         0.000000
BFGS:   46 16:00:44      -65.560019         0.000000
BFGS:   47 16:00:44      -65.560019         0.000000
Minimization converged after 47 steps.
Maximum force component: 8.566702538903315e-10 eV/Angstrom
Maximum stress component: 4.6890666672044914e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 2.50000000e-01 1.46150584e-34]
 [8.91906339e-37 7.50000000e-01 0.00000000e+00]
 [0.00000000e+00 7.50000000e-01 5.00000000e-01]
 [7.52316385e-37 2.50000000e-01 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 5.00000000e-01]
 [5.00000000e-01 7.50000000e-01 5.00000000e-01]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [5.00000000e-01 2.50000000e-01 3.65376460e-35]
 [2.50000000e-01 1.00000000e+00 0.00000000e+00]
 [7.50000000e-01 1.00000000e+00 3.84606340e-37]
 [2.50000000e-01 5.00000000e-01 5.00000000e-01]
 [7.50000000e-01 5.00000000e-01 5.00000000e-01]
 [7.50000000e-01 1.00000000e+00 5.00000000e-01]
 [2.50000000e-01 1.00000000e+00 5.00000000e-01]
 [7.50000000e-01 5.00000000e-01 1.46150584e-34]
 [2.50000000e-01 5.00000000e-01 1.46150584e-34]]
cellpar =  Cell([[5.343194494106632, -1.3680084406721362e-54, 1.4840352236724463e-37], [-2.3402530473923967e-53, 9.254684338253535, -4.2919802427181105e-18], [3.7255067501368574e-38, -2.3155732174869493e-18, 5.271083811664373]])
forces =  [[-3.29299785e-32  1.77187674e-10 -8.21730886e-29]
 [ 4.48058496e-64 -1.77187674e-10  8.21730886e-29]
 [-3.29299785e-32  1.77187674e-10 -8.21730886e-29]
 [ 4.48058496e-64 -1.77187674e-10  8.21730886e-29]
 [-3.29299785e-32  1.77187674e-10 -8.21730886e-29]
 [ 1.64649892e-32 -1.77187674e-10  8.21730886e-29]
 [-3.29299785e-32  1.77187674e-10 -8.21730886e-29]
 [ 1.64649892e-32 -1.77187674e-10  8.21730886e-29]
 [ 8.56670254e-10 -2.19331739e-64  2.37934223e-47]
 [-8.56670254e-10  2.19331739e-64 -2.37934223e-47]
 [ 8.56670254e-10 -2.19331739e-64  2.37934223e-47]
 [-8.56670254e-10  2.19331739e-64 -2.37934223e-47]
 [ 8.56670254e-10 -2.19331739e-64  2.37934223e-47]
 [-8.56670254e-10  2.19331739e-64 -2.37934223e-47]
 [ 8.56670254e-10 -2.19331739e-64  2.37934223e-47]
 [-8.56670254e-10  2.19331739e-64 -2.37934223e-47]]
stress =  [ 2.52111562e-12 -3.53013574e-11  4.68906667e-11  1.03311842e-26
  3.04710914e-49  2.64321809e-64]
energy per atom =  -4.09750119312799
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_oF16_69_gh, while relaxed is A_hP1_191_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.