element(s):
['C', 'Si']
AFLOW prototype label:
A2B_cP12_205_c_a
Parameter names:
['a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.7882', '0.41797522']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Si']
representative atom coordinates =  [[0.41797522 0.41797522 0.41797522]
 [0.         0.         0.        ]]
spacegroup =  205
cell =  [[4.7882, 0, 0], [0, 4.7882, 0], [0, 0, 4.7882]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:21:27     -138.176694       108.332459
BFGS:    1 16:21:27     -161.120292        23.060607
BFGS:    2 16:21:27     -164.301843        20.954055
BFGS:    3 16:21:27     -167.378064        19.437962
BFGS:    4 16:21:27     -170.450785        18.016653
BFGS:    5 16:21:27     -173.519405        16.689329
BFGS:    6 16:21:27     -176.587803        16.525653
BFGS:    7 16:21:28     -179.647927        16.774686
BFGS:    8 16:21:28     -182.702187        17.036147
BFGS:    9 16:21:28     -185.745363        17.217669
BFGS:   10 16:21:28     -188.769994        17.340995
BFGS:   11 16:21:28     -191.773061        17.441758
BFGS:   12 16:21:28     -194.745261        17.463663
BFGS:   13 16:21:28     -197.680203        17.436967
BFGS:   14 16:21:28     -200.568563        17.339186
BFGS:   15 16:21:28     -203.402037        17.210988
BFGS:   16 16:21:28     -206.174351        16.972665
BFGS:   17 16:21:28     -208.869430        16.653932
BFGS:   18 16:21:28     -211.474648        16.247556
BFGS:   19 16:21:28     -213.976045        15.745605
BFGS:   20 16:21:28     -216.358221        15.139396
BFGS:   21 16:21:28     -218.608465        14.452924
BFGS:   22 16:21:28     -220.704620        13.609885
BFGS:   23 16:21:28     -222.625755        12.631434
BFGS:   24 16:21:28     -224.349549        11.505222
BFGS:   25 16:21:28     -225.854029        10.257253
BFGS:   26 16:21:28     -227.113606         8.795213
BFGS:   27 16:21:28     -228.096314         7.141428
BFGS:   28 16:21:28     -228.771248         7.883433
BFGS:   29 16:21:28     -229.109382         9.237982
BFGS:   30 16:21:28     -229.152346         9.841319
BFGS:   31 16:21:28     -229.160977         9.851247
BFGS:   32 16:21:28     -229.462931         9.209619
BFGS:   33 16:21:28     -229.807010         6.914481
BFGS:   34 16:21:28     -230.157972         1.739772
BFGS:   35 16:21:28     -230.260599         0.740830
BFGS:   36 16:21:29     -230.276889         0.044121
BFGS:   37 16:21:29     -230.276911         0.001504
BFGS:   38 16:21:29     -230.276911         0.000003
BFGS:   39 16:21:29     -230.276911         0.000000
Minimization converged after 39 steps.
Maximum force component: 2.0007499361418809e-10 eV/Angstrom
Maximum stress component: 3.435471189825059e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si']
basis =  [[3.98650014e-01 3.98650014e-01 3.98650014e-01]
 [1.01349986e-01 6.01349986e-01 8.98650014e-01]
 [6.01349986e-01 8.98650014e-01 1.01349986e-01]
 [8.98650014e-01 1.01349986e-01 6.01349986e-01]
 [6.01349986e-01 6.01349986e-01 6.01349986e-01]
 [8.98650014e-01 3.98650014e-01 1.01349986e-01]
 [3.98650014e-01 1.01349986e-01 8.98650014e-01]
 [1.01349986e-01 8.98650014e-01 3.98650014e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 3.72462555e-54 5.00000000e-01]
 [1.19188017e-52 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.204645683151452, -8.232195700962698e-38, 0.0], [-2.9441687842058127e-36, 4.204645683151452, 0.0], [0.0, 0.0, 4.204645683151452]])
forces =  [[ 2.00074994e-10  2.00074994e-10  2.00074994e-10]
 [-2.00074994e-10 -2.00074994e-10  2.00074994e-10]
 [-2.00074994e-10  2.00074994e-10 -2.00074994e-10]
 [ 2.00074994e-10 -2.00074994e-10 -2.00074994e-10]
 [-2.00074994e-10 -2.00074994e-10 -2.00074994e-10]
 [ 2.00074994e-10  2.00074994e-10 -2.00074994e-10]
 [ 2.00074994e-10 -2.00074994e-10  2.00074994e-10]
 [-2.00074994e-10  2.00074994e-10  2.00074994e-10]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-3.43547119e-11 -3.43547119e-11 -3.43547119e-11  0.00000000e+00
  0.00000000e+00  2.05177833e-64]
energy per atom =  -19.189742610379927
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0