ReaxFF forcefield
 39 ! Number of general parameters
  50.000000
  9.546900
  1.672500
  1.611500
  10.582700
  60.485000
  1.058800
  0.150900
  12.117600
  13.305600
  -23.842400
  0.000000
  10.000000
  2.879300
  33.866700
  6.089100
  1.056300
  2.038400
  6.143100
  6.929000
  0.398900
  3.995400
  -2.483700
  5.779600
  10.000000
  1.948700
  -1.232700
  2.164500
  1.559100
  0.100000
  0.790300
  0.699100
  50.000000
  1.851200
  0.500000
  20.000000
  5.000000
  2.000000
  0.790300
 4 ! Nr of atoms;r_s;valency;mass;r_vdw;epsilon;gamma;r_pi;valency_e;
                    alpha;gamma_w;valency_boc;p_ovun5;n.u.;chi;eta;p_hbond;
                    r_pi_pi;p_lp2;n.u.;b_o_131;b_o_132;b_o_133;n.u.;n.u.;
                    p_ovun2;p_val3;n.u.;valency_val;p_val5;rcore2;ecore2;acore2
 C 1.367400 4.000000 12.000000 2.045300 0.144400 0.848500 1.170600 4.000000
    9.000000 1.500000 4.000000 30.000000 79.554800 4.844600 7.000000 0.000000
    1.116800 0.000000 181.000000 14.273200 24.440600 6.731300 0.856300 0.000000
    -4.102100 5.000000 1.056400 4.000000 2.966300 0.000000 0.000000 0.000000
 N 1.550700 3.000000 14.000000 2.393300 0.121100 0.992800 1.277400 5.000000
    9.105000 12.069800 4.000000 30.279000 100.000000 6.111200 6.664500 2.000000
    1.118700 0.100000 119.983700 0.738200 6.710800 2.726800 0.974500 0.000000
    -2.000000 4.000000 1.018300 4.000000 2.879300 0.000000 0.000000 0.000000
 O 1.245000 2.000000 15.999000 2.389000 0.100000 1.089800 1.054800 6.000000
    9.730000 13.844900 4.000000 37.500000 116.076800 8.500000 8.312200 2.000000
    0.904900 0.405600 68.015200 3.502700 0.764000 0.002100 0.974500 0.000000
    -3.550000 2.900000 1.049300 4.000000 2.922500 0.000000 0.000000 0.000000
 Si 2.017500 4.000000 28.060000 2.047300 0.183500 0.892500 1.296200 4.000000
    12.358800 1.252300 4.000000 21.711500 139.930900 4.698800 6.000000 0.000000
    -1.000000 0.000000 128.203100 8.789500 23.929800 0.838100 0.856300 0.000000
    -4.752500 2.160700 1.033800 4.000000 2.579100 0.000000 0.000000 0.000000
 10 ! Nr of bonds; Edis1;LPpen;n.u.;pbe1;pbo5;13corr;pbo6
           		 pbe2;pbo3;pbo4;n.u.;pbo1;pbo2;ovcorr
 1 1 80.88650 107.99440 52.06360 0.52180 -0.36360 1.00000 34.98760 0.77690
     6.12440 -0.16930 8.08040 1.00000 -0.05860 8.18500 1.00000 0.00000
 1 2 250.00000 238.66180 192.72240 0.83910 -0.26050 1.00000 24.40560 0.01800
     1.21560 -0.13220 13.12610 1.00000 -0.24750 4.53570 1.00000 0.00000
 2 2 175.51650 30.11460 164.33930 0.12130 -0.32500 1.00000 20.73030 0.95990
     8.46620 -0.31590 25.30940 1.00000 -0.41020 6.61110 1.00000 0.00000
 1 3 97.29830 139.46970 120.32270 1.00000 -0.50000 1.00000 18.05080 0.25100
     2.00000 -0.44220 15.00000 1.00000 -0.14990 7.00000 0.00000 0.00000
 2 3 130.85960 169.45510 40.00000 0.38370 -0.16390 1.00000 35.00000 0.20000
     1.00000 -0.35790 7.00040 1.00000 -0.11930 6.87730 1.00000 0.00000
 3 3 136.93800 191.73570 50.36760 1.00000 -0.10000 1.00000 27.59050 0.27930
     0.51350 -0.24460 7.24870 1.00000 -0.18480 4.66780 1.00000 0.00000
 1 4 90.88200 95.02330 0.00000 0.59300 -0.55580 1.00000 17.21170 0.39230
     1.04260 -0.23780 10.11630 1.00000 -0.07250 5.90790 1.00000 0.00000
 2 4 82.98220 142.42180 32.38750 0.40550 -0.29740 1.00000 36.14680 0.21590
     13.97700 -0.11500 11.49820 1.00000 -0.13240 8.01760 1.00000 0.00000
 3 4 272.87090 18.44620 0.00000 -0.61070 -0.30000 1.00000 36.00000 0.82700
     10.23340 -0.54950 29.99540 1.00000 -0.12770 7.58630 1.00000 0.00000
 4 4 89.54350 47.87750 30.00000 0.60580 -0.30000 1.00000 16.00000 0.01460
     0.32870 -0.17770 4.65120 1.00000 -0.06060 7.89450 0.00000 0.00000
 6 ! Nr of off-diagonal terms; Ediss;Ro;gamma;rsigma;rpi;rpi2
 1 2 0.30000 1.98030 10.31820 1.20000 1.14620 1.07470
 1 3 0.21920 1.79690 9.55050 1.36750 1.32090 1.12720
 2 3 0.12010 2.47750 9.01710 1.52850 1.06820 1.27160
 1 4 0.02870 2.09660 12.96070 1.73830 1.58400 -1.00000
 2 4 0.08870 1.67430 12.70940 1.75710 1.36930 -1.00000
 3 4 0.13300 2.05450 10.83150 1.70430 1.37730 -1.00000
 40 ! Nr of angles;at1;at2;at3;Thetao,o;ka;kb;pv1;pv2;val(bo)
 1 1 1 74.90850 44.75140 0.91440 0.00000 0.00500 0.35560 2.57150
 1 1 2 66.84370 45.00000 1.24910 0.00000 1.18340 0.00000 3.00000
 1 1 3 66.29530 15.60330 5.59230 0.00000 3.00000 66.62260 1.86830
 1 1 4 72.79600 7.28890 5.14800 0.00000 4.60640 0.00000 2.68230
 1 2 1 70.67780 12.34950 3.04860 0.00000 2.87020 0.00000 1.00000
 1 2 2 71.45790 14.09420 2.85400 0.00000 2.87010 0.00000 1.06310
 1 2 3 73.97450 21.13290 2.33370 0.00000 2.87010 0.00000 1.71700
 1 2 4 6.54820 7.26170 0.58350 0.00000 5.00000 0.00000 2.68280
 1 3 1 69.36340 33.65900 3.14000 0.00000 0.02490 0.00000 1.00100
 1 3 2 69.59830 45.00000 1.42480 0.00000 2.90000 0.00000 2.32860
 1 3 3 74.11340 20.69570 4.73800 0.00000 1.27140 66.86000 2.99390
 1 3 4 55.92230 40.00000 8.00000 0.00000 0.21850 0.00000 4.00000
 1 4 1 69.17090 18.92680 2.12260 0.00000 1.00310 0.00000 1.04000
 1 4 2 87.11870 0.01000 6.46080 0.00000 4.81900 0.00000 2.75820
 1 4 3 51.85480 13.62090 4.05770 0.00000 5.00000 0.00000 1.00000
 1 4 4 68.99020 19.70210 2.05870 0.00000 1.00310 0.00000 1.04000
 2 1 2 90.00000 43.17920 0.50550 0.00000 1.11550 0.00000 1.02040
 2 1 4 75.81640 23.61400 0.65800 0.00000 5.00000 0.00000 1.31410
 2 2 2 73.31890 24.96850 2.25610 0.00000 2.99830 0.00000 1.25000
 2 2 4 66.56480 14.05620 0.88090 0.00000 5.00000 0.00000 2.21030
 2 3 2 67.89600 43.28360 4.27430 0.00000 2.18220 0.00000 1.07260
 2 3 4 69.87280 27.12730 1.58750 0.00000 2.24660 0.00000 1.04000
 2 4 2 74.12940 20.64940 2.12440 0.00000 0.76890 0.00000 1.04000
 2 4 4 60.61990 17.75590 1.05760 0.00000 2.14590 0.00000 1.04000
 3 1 2 82.70220 45.00000 0.57690 0.00000 1.10190 0.00000 1.00000
 3 1 3 79.35250 24.60270 7.00000 -36.75580 1.02510 22.05660 1.00100
 3 1 4 90.00000 40.00000 0.41960 0.00000 0.01000 0.00000 1.43170
 3 2 2 74.26150 27.86690 1.67360 -0.91930 3.01170 0.00000 1.43810
 3 2 3 74.26130 20.90080 2.86070 -18.00690 3.07010 0.00000 1.38740
 3 2 4 69.87280 32.71550 1.58750 0.00000 2.24660 0.00000 1.04000
 3 3 2 83.52020 33.79330 1.03370 0.00000 2.90000 0.00000 1.33980
 3 3 3 89.99340 17.94650 1.77980 0.00000 2.98810 0.00000 1.05380
 3 3 4 82.73970 32.11980 1.88620 0.00000 0.10580 0.00000 1.54430
 3 4 2 57.06500 9.49850 0.34230 0.00000 0.76890 0.00000 1.04000
 3 4 3 98.21840 38.94290 0.77270 0.00000 1.16580 0.00000 2.26410
 3 4 4 99.89970 26.66100 2.12370 0.00000 0.01000 0.00000 1.43410
 4 1 4 68.64530 18.73770 2.04960 0.00000 1.00310 0.00000 1.04000
 4 2 4 24.11370 1.74570 0.21980 0.00000 4.11250 0.00000 1.04000
 4 3 4 39.28580 1.30680 5.64780 0.00000 3.89720 0.00000 3.00000
 4 4 4 77.47460 39.12760 0.86070 0.00000 0.00240 0.00000 1.28990
 101 ! Nr of torsions;at1;at2;at3;at4;;V1;V2;V3;V2(BO);vconj;n.u;n.u
 1 1 1 1 2.12070 26.87130 0.51600 -9.00000 -2.83940 0.00000 0.00000
 1 1 1 2 0.00000 50.00000 0.30000 -4.00000 -2.00000 0.00000 0.00000
 1 1 1 3 2.50000 17.42950 0.49580 -2.50000 -1.08830 0.00000 0.00000
 1 1 1 4 0.00000 50.00000 0.30000 -4.00000 -2.00000 0.00000 0.00000
 1 1 2 1 1.00000 83.87500 1.00000 -6.52790 -1.65890 0.00000 0.00000
 1 1 2 2 0.21760 40.41260 0.35350 -3.98750 -2.00510 0.00000 0.00000
 1 1 2 3 0.21760 40.41260 0.35350 -3.98750 -2.00510 0.00000 0.00000
 1 1 2 4 0.21760 40.41260 0.35350 -3.98750 -2.00510 0.00000 0.00000
 1 1 3 1 2.50000 67.08900 -0.98100 -6.32210 -3.00000 0.00000 0.00000
 1 1 3 3 2.50000 5.51610 -0.02510 -8.90850 -1.08480 0.00000 0.00000
 1 1 4 3 -0.61010 3.84020 -0.06810 -3.16360 -1.10000 0.00000 0.00000
 1 2 2 1 0.72650 44.31550 1.00000 -4.40460 -2.00000 0.00000 0.00000
 1 2 2 2 0.72650 44.31550 1.00000 -4.40460 -2.00000 0.00000 0.00000
 1 2 2 3 0.72650 44.31550 1.00000 -4.40460 -2.00000 0.00000 0.00000
 1 2 2 4 0.72650 44.31550 1.00000 -4.40460 -2.00000 0.00000 0.00000
 1 2 4 1 0.00000 0.00000 0.00000 -2.44260 0.00000 0.00000 0.00000
 1 2 4 2 0.00000 0.00000 0.00000 -2.44260 0.00000 0.00000 0.00000
 1 2 4 3 0.00000 0.00000 0.00000 -2.44260 0.00000 0.00000 0.00000
 1 2 4 4 0.00000 0.00000 0.00000 -2.44260 0.00000 0.00000 0.00000
 1 3 2 1 1.13970 61.32250 0.51390 -3.85070 -2.78310 0.00000 0.00000
 1 3 2 2 1.13970 61.32250 0.51390 -3.85070 -2.78310 0.00000 0.00000
 1 3 2 3 1.13970 61.32250 0.51390 -3.85070 -2.78310 0.00000 0.00000
 1 3 2 4 1.13970 61.32250 0.51390 -3.85070 -2.78310 0.00000 0.00000
 1 3 3 1 1.94720 5.00000 0.97110 -8.30990 -1.30590 0.00000 0.00000
 1 3 3 2 0.55110 25.41500 1.13300 -5.19030 -1.00000 0.00000 0.00000
 1 3 3 3 -0.38480 -1.00000 0.76640 -2.52520 -1.26820 0.00000 0.00000
 1 3 3 4 0.55110 25.41500 1.13300 -5.19030 -1.00000 0.00000 0.00000
 2 1 1 1 0.00000 50.00000 0.30000 -4.00000 -2.00000 0.00000 0.00000
 2 1 1 2 -1.00000 21.84270 1.00000 -4.06860 -1.72410 0.00000 0.00000
 2 1 1 3 0.00000 50.00000 0.30000 -4.00000 -2.00000 0.00000 0.00000
 2 1 1 4 0.00000 50.00000 0.30000 -4.00000 -2.00000 0.00000 0.00000
 2 1 2 1 0.21760 40.41260 0.35350 -3.98750 -2.00510 0.00000 0.00000
 2 1 2 2 -0.09490 8.75820 0.33100 -7.94300 -2.00000 0.00000 0.00000
 2 1 2 3 0.21760 40.41260 0.35350 -3.98750 -2.00510 0.00000 0.00000
 2 1 2 4 0.21760 40.41260 0.35350 -3.98750 -2.00510 0.00000 0.00000
 2 2 2 1 0.72650 44.31550 1.00000 -4.40460 -2.00000 0.00000 0.00000
 2 2 2 2 0.72650 44.31550 1.00000 -4.40460 -2.00000 0.00000 0.00000
 2 2 2 3 0.72650 44.31550 1.00000 -4.40460 -2.00000 0.00000 0.00000
 2 2 2 4 0.72650 44.31550 1.00000 -4.40460 -2.00000 0.00000 0.00000
 2 2 4 1 0.00000 0.00000 0.00000 -2.44260 0.00000 0.00000 0.00000
 2 2 4 2 0.00000 0.00000 0.00000 -2.44260 0.00000 0.00000 0.00000
 2 2 4 3 0.00000 0.00000 0.00000 -2.44260 0.00000 0.00000 0.00000
 2 2 4 4 0.00000 0.00000 0.00000 -2.44260 0.00000 0.00000 0.00000
 2 3 2 1 1.13970 61.32250 0.51390 -3.85070 -2.78310 0.00000 0.00000
 2 3 2 2 1.13970 61.32250 0.51390 -3.85070 -2.78310 0.00000 0.00000
 2 3 2 3 1.13970 61.32250 0.51390 -3.85070 -2.78310 0.00000 0.00000
 2 3 2 4 1.13970 61.32250 0.51390 -3.85070 -2.78310 0.00000 0.00000
 2 3 3 1 0.55110 25.41500 1.13300 -5.19030 -1.00000 0.00000 0.00000
 2 3 3 2 0.55110 25.41500 1.13300 -5.19030 -1.00000 0.00000 0.00000
 2 3 3 3 0.55110 25.41500 1.13300 -5.19030 -1.00000 0.00000 0.00000
 2 3 3 4 0.55110 25.41500 1.13300 -5.19030 -1.00000 0.00000 0.00000
 3 1 1 1 0.00000 50.00000 0.30000 -4.00000 -2.00000 0.00000 0.00000
 3 1 1 2 1.00000 25.33730 1.00000 -4.14530 -0.95110 0.00000 0.00000
 3 1 1 3 -0.50000 26.42530 -0.89910 -6.04260 -2.06580 0.00000 0.00000
 3 1 1 4 -0.60610 1.15390 -0.03210 -4.86070 -1.10000 0.00000 0.00000
 3 1 2 1 -1.00000 48.64770 1.00000 -8.00000 -1.80380 0.00000 0.00000
 3 1 2 2 0.21760 40.41260 0.35350 -3.98750 -2.00510 0.00000 0.00000
 3 1 2 3 0.21760 40.41260 0.35350 -3.98750 -2.00510 0.00000 0.00000
 3 1 2 4 0.21760 40.41260 0.35350 -3.98750 -2.00510 0.00000 0.00000
 3 1 3 1 2.43750 36.42750 1.00000 -7.62000 -3.00000 0.00000 0.00000
 3 1 3 3 -0.50000 80.00000 0.86630 -5.71080 -1.56280 0.00000 0.00000
 3 2 2 1 0.72650 44.31550 1.00000 -4.40460 -2.00000 0.00000 0.00000
 3 2 2 2 0.72650 44.31550 1.00000 -4.40460 -2.00000 0.00000 0.00000
 3 2 2 3 0.72650 44.31550 1.00000 -4.40460 -2.00000 0.00000 0.00000
 3 2 2 4 0.72650 44.31550 1.00000 -4.40460 -2.00000 0.00000 0.00000
 3 2 4 1 0.00000 0.00000 0.00000 -2.44260 0.00000 0.00000 0.00000
 3 2 4 2 0.00000 0.00000 0.00000 -2.44260 0.00000 0.00000 0.00000
 3 2 4 3 0.00000 0.00000 0.00000 -2.44260 0.00000 0.00000 0.00000
 3 2 4 4 0.00000 0.00000 0.00000 -2.44260 0.00000 0.00000 0.00000
 3 3 2 1 1.13970 61.32250 0.51390 -3.85070 -2.78310 0.00000 0.00000
 3 3 2 2 1.13970 61.32250 0.51390 -3.85070 -2.78310 0.00000 0.00000
 3 3 2 3 1.13970 61.32250 0.51390 -3.85070 -2.78310 0.00000 0.00000
 3 3 2 4 1.13970 61.32250 0.51390 -3.85070 -2.78310 0.00000 0.00000
 3 3 3 1 0.55110 25.41500 1.13300 -5.19030 -1.00000 0.00000 0.00000
 3 3 3 2 0.55110 25.41500 1.13300 -5.19030 -1.00000 0.00000 0.00000
 3 3 3 3 -0.50000 -1.00000 1.00000 -2.55000 -1.03690 0.00000 0.00000
 3 3 3 4 0.55110 25.41500 1.13300 -5.19030 -1.00000 0.00000 0.00000
 4 1 1 1 0.00000 50.00000 0.30000 -4.00000 -2.00000 0.00000 0.00000
 4 1 1 2 0.00000 50.00000 0.30000 -4.00000 -2.00000 0.00000 0.00000
 4 1 1 3 0.00000 50.00000 0.30000 -4.00000 -2.00000 0.00000 0.00000
 4 1 1 4 0.00000 50.00000 0.30000 -4.00000 -2.00000 0.00000 0.00000
 4 1 2 1 0.21760 40.41260 0.35350 -3.98750 -2.00510 0.00000 0.00000
 4 1 2 2 0.21760 40.41260 0.35350 -3.98750 -2.00510 0.00000 0.00000
 4 1 2 3 0.21760 40.41260 0.35350 -3.98750 -2.00510 0.00000 0.00000
 4 1 2 4 0.21760 40.41260 0.35350 -3.98750 -2.00510 0.00000 0.00000
 4 2 2 1 0.72650 44.31550 1.00000 -4.40460 -2.00000 0.00000 0.00000
 4 2 2 2 0.72650 44.31550 1.00000 -4.40460 -2.00000 0.00000 0.00000
 4 2 2 3 0.72650 44.31550 1.00000 -4.40460 -2.00000 0.00000 0.00000
 4 2 2 4 0.72650 44.31550 1.00000 -4.40460 -2.00000 0.00000 0.00000
 4 2 4 1 0.00000 0.00000 0.00000 -2.44260 0.00000 0.00000 0.00000
 4 2 4 2 0.00000 0.00000 0.00000 -2.44260 0.00000 0.00000 0.00000
 4 2 4 3 0.00000 0.00000 0.00000 -2.44260 0.00000 0.00000 0.00000
 4 2 4 4 0.00000 0.00000 0.00000 -2.44260 0.00000 0.00000 0.00000
 4 3 2 1 1.13970 61.32250 0.51390 -3.85070 -2.78310 0.00000 0.00000
 4 3 2 2 1.13970 61.32250 0.51390 -3.85070 -2.78310 0.00000 0.00000
 4 3 2 3 1.13970 61.32250 0.51390 -3.85070 -2.78310 0.00000 0.00000
 4 3 2 4 1.13970 61.32250 0.51390 -3.85070 -2.78310 0.00000 0.00000
 4 3 3 1 0.55110 25.41500 1.13300 -5.19030 -1.00000 0.00000 0.00000
 4 3 3 2 0.55110 25.41500 1.13300 -5.19030 -1.00000 0.00000 0.00000
 4 3 3 3 0.55110 25.41500 1.13300 -5.19030 -1.00000 0.00000 0.00000
 4 3 3 4 0.55110 25.41500 1.13300 -5.19030 -1.00000 0.00000 0.00000
 0 ! Nr of hydrogen bonds;at1;at2;at3;Rhb;Dehb;vhb1