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_Tersoff_1989_SiGe__MO_350526375143_004
==== 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 17:57:20      -64.217433         1.815033
BFGS:    1 17:57:21      -64.469405         1.245587
BFGS:    2 17:57:21      -64.519023         1.127413
BFGS:    3 17:57:21      -64.645428         1.306422
BFGS:    4 17:57:21      -64.837319         1.849827
BFGS:    5 17:57:21      -65.168819         2.619542
BFGS:    6 17:57:22      -65.600141         2.971596
BFGS:    7 17:57:22      -65.902423         2.442759
BFGS:    8 17:57:22      -66.075374         2.289104
BFGS:    9 17:57:22      -66.211363         2.639335
BFGS:   10 17:57:22      -66.352298         2.745563
BFGS:   11 17:57:23      -66.499926         2.681836
BFGS:   12 17:57:23      -66.647079         2.466478
BFGS:   13 17:57:23      -66.782989         2.113747
BFGS:   14 17:57:23      -66.895048         1.643721
BFGS:   15 17:57:23      -66.977243         1.061427
BFGS:   16 17:57:23      -67.024392         0.671873
BFGS:   17 17:57:24      -67.036297         0.641294
BFGS:   18 17:57:24      -67.040605         0.623882
BFGS:   19 17:57:24      -67.065077         0.510727
BFGS:   20 17:57:24      -67.083531         0.398058
BFGS:   21 17:57:24      -67.097033         0.286541
BFGS:   22 17:57:25      -67.106044         0.241663
BFGS:   23 17:57:25      -67.111088         0.203610
BFGS:   24 17:57:25      -67.116539         0.318044
BFGS:   25 17:57:25      -67.122057         0.354915
BFGS:   26 17:57:25      -67.124897         0.260214
BFGS:   27 17:57:26      -67.125722         0.150675
BFGS:   28 17:57:26      -67.125871         0.149154
BFGS:   29 17:57:26      -67.125939         0.148705
BFGS:   30 17:57:26      -67.125975         0.148404
BFGS:   31 17:57:26      -67.125991         0.148357
BFGS:   32 17:57:27      -67.126012         0.148173
BFGS:   33 17:57:27      -67.126025         0.148080
BFGS:   34 17:57:27      -67.126103         0.147436
BFGS:   35 17:57:27      -67.126261         0.145959
BFGS:   36 17:57:27      -67.126706         0.164205
BFGS:   37 17:57:27      -67.127742         0.208998
BFGS:   38 17:57:28      -67.130012         0.253484
BFGS:   39 17:57:28      -67.133743         0.252424
BFGS:   40 17:57:28      -67.137279         0.159582
BFGS:   41 17:57:28      -67.138755         0.050255
BFGS:   42 17:57:28      -67.138952         0.005960
BFGS:   43 17:57:29      -67.138961         0.000390
BFGS:   44 17:57:29      -67.138961         0.000029
BFGS:   45 17:57:29      -67.138961         0.000004
BFGS:   46 17:57:29      -67.138961         0.000001
BFGS:   47 17:57:29      -67.138961         0.000000
BFGS:   48 17:57:30      -67.138961         0.000000
Minimization converged after 48 steps.
Maximum force component: 1.9587431052126027e-09 eV/Angstrom
Maximum stress component: 1.0824206724162413e-10 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 2.87200047e-01 2.36897450e-34]
 [0.00000000e+00 7.12799953e-01 0.00000000e+00]
 [0.00000000e+00 7.87200047e-01 5.00000000e-01]
 [0.00000000e+00 2.12799953e-01 5.00000000e-01]
 [5.00000000e-01 2.87200047e-01 5.00000000e-01]
 [5.00000000e-01 7.12799953e-01 5.00000000e-01]
 [5.00000000e-01 7.87200047e-01 0.00000000e+00]
 [5.00000000e-01 2.12799953e-01 0.00000000e+00]
 [2.16517323e-01 1.00000000e+00 0.00000000e+00]
 [7.83482677e-01 1.00000000e+00 0.00000000e+00]
 [2.16517323e-01 5.00000000e-01 5.00000000e-01]
 [7.83482677e-01 5.00000000e-01 5.00000000e-01]
 [7.16517323e-01 1.00000000e+00 5.00000000e-01]
 [2.83482677e-01 1.00000000e+00 5.00000000e-01]
 [7.16517323e-01 5.00000000e-01 7.89658167e-35]
 [2.83482677e-01 5.00000000e-01 7.89658167e-35]]
cellpar =  Cell([[5.246611772864692, -6.222230250844218e-57, -9.589871808669486e-39], [9.163237732289358e-56, 9.758942888995586, -6.649062195814764e-18], [-8.011082901793212e-37, -3.482977029390133e-18, 4.877882672484564]])
forces =  [[-1.61673708e-32  1.57618954e-09 -1.07390548e-27]
 [-1.48003753e-65 -1.57618954e-09  1.07390924e-27]
 [-1.61673708e-32  1.57618954e-09 -1.07390548e-27]
 [-1.47979067e-65 -1.57618954e-09  1.07389421e-27]
 [ 1.47985239e-65  1.57618954e-09 -1.07389797e-27]
 [-1.47979067e-65 -1.57618954e-09  1.07389421e-27]
 [ 1.47985239e-65  1.57618954e-09 -1.07389797e-27]
 [-1.47997582e-65 -1.57618954e-09  1.07390548e-27]
 [-1.95874311e-09  2.16142964e-32 -1.12733524e-32]
 [ 1.95874311e-09  5.36637581e-51 -7.51556824e-33]
 [-1.95874311e-09  2.44335524e-32 -1.12733524e-32]
 [ 1.95874311e-09  5.36637581e-51 -7.51556824e-33]
 [-1.95874311e-09 -3.35398488e-52  4.69723015e-34]
 [ 1.95874311e-09  8.04956371e-51 -1.12733524e-32]
 [-1.95874311e-09  7.51801613e-33  3.57511126e-48]
 [ 1.95874311e-09  8.72036068e-51 -1.22127984e-32]]
stress =  [ 3.30004941e-11  4.71092348e-11 -1.08242067e-10 -4.52226864e-90
  4.81626284e-34  1.22052147e-66]
energy per atom =  -4.196185053768888
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Skipping parameter set 0 because of error while adding or validating property:
 [Errno 12] Cannot allocate memory
No parameter sets in this group successfully added a property instance. Skipping this group.