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 16:52:29      -55.975463       11.6516
BFGS:    1 16:52:29      -59.338335       10.3548
BFGS:    2 16:52:29      -62.080117        7.2354
BFGS:    3 16:52:29      -63.485553        3.1611
BFGS:    4 16:52:29      -63.824374        2.3279
BFGS:    5 16:52:29      -64.114524        2.2095
BFGS:    6 16:52:29      -64.361284        2.0848
BFGS:    7 16:52:29      -64.570520        1.9558
BFGS:    8 16:52:29      -64.746719        1.8241
BFGS:    9 16:52:29      -64.893722        1.6911
BFGS:   10 16:52:29      -65.015047        1.5579
BFGS:   11 16:52:29      -65.114047        1.4256
BFGS:   12 16:52:29      -65.193974        1.2948
BFGS:   13 16:52:29      -65.257991        1.1664
BFGS:   14 16:52:29      -65.309154        1.0409
BFGS:   15 16:52:29      -65.350344        0.9187
BFGS:   16 16:52:29      -65.384180        0.8001
BFGS:   17 16:52:29      -65.412900        0.6853
BFGS:   18 16:52:29      -65.438255        0.5744
BFGS:   19 16:52:29      -65.461450        0.4673
BFGS:   20 16:52:29      -65.483159        0.3640
BFGS:   21 16:52:29      -65.503573        0.2643
BFGS:   22 16:52:29      -65.522445        0.1970
BFGS:   23 16:52:29      -65.539048        0.1481
BFGS:   24 16:52:29      -65.551908        0.1016
BFGS:   25 16:52:29      -65.556982        0.0781
BFGS:   26 16:52:29      -65.558293        0.0675
BFGS:   27 16:52:29      -65.559172        0.0560
BFGS:   28 16:52:29      -65.559262        0.0539
BFGS:   29 16:52:29      -65.559346        0.0505
BFGS:   30 16:52:29      -65.559507        0.0412
BFGS:   31 16:52:29      -65.559735        0.0237
BFGS:   32 16:52:29      -65.559907        0.0120
BFGS:   33 16:52:29      -65.559960        0.0142
BFGS:   34 16:52:29      -65.559968        0.0135
BFGS:   35 16:52:29      -65.559972        0.0125
BFGS:   36 16:52:29      -65.559982        0.0099
BFGS:   37 16:52:29      -65.559996        0.0058
BFGS:   38 16:52:29      -65.560010        0.0035
BFGS:   39 16:52:29      -65.560017        0.0024
BFGS:   40 16:52:29      -65.560019        0.0010
BFGS:   41 16:52:29      -65.560019        0.0005
BFGS:   42 16:52:29      -65.560019        0.0002
BFGS:   43 16:52:29      -65.560019        0.0001
BFGS:   44 16:52:29      -65.560019        0.0000
BFGS:   45 16:52:29      -65.560019        0.0000
BFGS:   46 16:52:29      -65.560019        0.0000
BFGS:   47 16:52:29      -65.560019        0.0000
Minimization converged after 47 steps.
Maximum force component: 8.566760688029358e-10 eV/Angstrom
Maximum stress component: 4.6890611626496e-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 =  [[3.96601061e-36 2.50000000e-01 0.00000000e+00]
 [8.46356112e-37 7.50000000e-01 0.00000000e+00]
 [4.01950811e-36 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 2.92301168e-34]
 [2.50000000e-01 1.00000000e+00 0.00000000e+00]
 [7.50000000e-01 1.00000000e+00 0.00000000e+00]
 [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 0.00000000e+00]
 [2.50000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[5.343194494106632, -1.672587889811451e-53, -8.384769830759751e-38], [-3.080788350096982e-53, 9.254684338253533, -3.325248480474315e-17], [3.999961542135038e-37, -1.8781836498594685e-17, 5.271083811664373]])
forces =  [[-1.85231129e-32  1.77187052e-10 -6.36640813e-28]
 [ 2.05812365e-33 -1.77187052e-10  6.36640813e-28]
 [-1.64649892e-32  1.77187052e-10 -6.36640813e-28]
 [ 3.08718548e-33 -1.77187052e-10  6.36640813e-28]
 [-1.64649892e-32  1.77187052e-10 -6.36640813e-28]
 [ 5.89837304e-64 -1.77187052e-10  6.36640813e-28]
 [-2.05812365e-32  1.77187052e-10 -6.36640813e-28]
 [ 2.05812365e-33 -1.77187052e-10  6.36640813e-28]
 [ 8.56676069e-10 -1.15752004e-49  3.24855621e-32]
 [-8.56676069e-10  1.15752004e-49 -3.24855621e-32]
 [ 8.56676069e-10 -1.15752004e-49  3.24855621e-32]
 [-8.56676069e-10  1.15752004e-49 -3.24855621e-32]
 [ 8.56676069e-10 -5.78760021e-50  1.62427810e-32]
 [-8.56676069e-10  1.15752004e-49 -3.24855621e-32]
 [ 8.56676069e-10 -1.15752004e-49  3.24855621e-32]
 [-8.56676069e-10  1.15752004e-49 -3.24855621e-32]]
stress =  [ 2.52075144e-12 -3.53019075e-11  4.68906116e-11  1.81699687e-26
 -2.18821283e-34  7.07745233e-51]
energy per atom =  -4.097501193127991
===============================================
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.