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default_thermo_data.tex
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default_thermo_data.tex
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\small
\linenumbers*
\begin{verbatim}
#-----------------------------------------------------------------------------
# Cp, H, and S curve fit parameters from CEA program (1994)
#
# File Format:
#
# First line:
#
# Species Name
# Number of T intervals: [200-1000], [1000-6000], ([6000-20000])
# Formation Enthalpy @ 298.15K
#
# Lines 2-4 (2-8):
#
# a0-a4; a5-a9 for each interval.
#
#
# Cp/R = a0*T^-2 + a1*T^-1 + a2 + a3*T + a4*T^2 + a5*T^3
# + a6*T^4
# H/RT = -a0*T^-2 + a1*T^-1*lnT + a2 + a3*T/2 + a4*T^2/3 + a5*T^3/4
# + a6*T^4/5 + a8/T
# S/R = -a0*T^-2/2 - a1*T^-1 + a2*lnT + a3*T + a4*T^2/2 + a5*T^3/3
# + a6*T^4/4 + a9
#
# Note that a7 is always zero and is not used in the calculation of Cp,H, or S.
# The constant is included simply for compatibility with cea.
#
#
# Sources:
#
# All values come directly from cea400 program (05/98)
# Note that for monotomics in which the only non-zero parameter is a2, cea
# stores this value in the 1st position. This must be changed for FIN-S to
# work correctly.
# [PB]: HO2/H2O2 values taken from
# http://www.grc.nasa.gov/WWW/CEAWeb/ceaThermoBuild.htm
#-------------------------------------------------------------------------------
Ar 3 0.000
0.00000000e+00 0.00000000e+00 2.50000000e+00 0.00000000e+00 0.00000000e+00
0.00000000e+00 0.00000000e+00 0.00000000e+00 -7.45375000e+02 4.37967491e+00
2.01053848e+01 -5.99266107e-02 2.50006940e+00 -3.99214116e-08 1.20527214e-11
-1.81901558e-15 1.07857664e-19 0.00000000e+00 -7.44993961e+02 4.37918011e+00
-9.95126508e+08 6.45888726e+05 -1.67589470e+02 2.31993336e-02 -1.72108091e-06
6.53193846e-11 -9.74014773e-16 0.00000000e+00 -5.07830034e+06 1.46529848e+03
Ar+ 3 1526778.407
-5.73120917e+04 7.93079147e+02 -1.71712122e+00 1.04418402e-02 -1.18020750e-05
6.52813478e-09 -1.44755813e-12 0.00000000e+00 1.79057223e+05 2.94915095e+01
-3.83596540e+05 8.16201970e+02 2.30134263e+00 -4.95298377e-06 1.20510848e-08
-2.18505029e-12 1.26549390e-16 0.00000000e+00 1.77181146e+05 7.94750748e+00
1.01737284e+07 -6.68510410e+03 4.46095379e+00 -3.03416529e-04 2.62347956e-08
-1.20511583e-12 2.30380688e-17 0.00000000e+00 2.35435354e+05 -1.04451930e+01
Air 2 -125.530
1.00995016e+04 -1.96827561e+02 5.00915511e+00 -5.76101373e-03 1.06685993e-05
-7.94029797e-09 2.18523191e-12 0.00000000e+00 -1.76796731e+02 -3.92150098e+00
2.41521443e+05 -1.25787460e+03 5.14455867e+00 -2.13854179e-04 7.06522784e-08
-1.07148349e-11 6.57780015e-16 0.00000000e+00 6.46226319e+03 -8.14740866e+00
CPAir 3 -125.530
0. 0. 3.5 0. 0.
0. 0. 0. 0. 0.
0. 0. 3.5 0. 0.
0. 0. 0. 0. 0.
0. 0. 3.5 0. 0.
0. 0. 0. 0. 0.
C 3 716680.000
6.49503147e+02 -9.64901086e-01 2.50467548e+00 -1.28144803e-05 1.98013365e-08
-1.60614403e-11 5.31448341e-15 0.00000000e+00 8.54576311e+04 4.74799922e+00
-1.28913647e+05 1.71952857e+02 2.64604439e+00 -3.35306895e-04 1.74209274e-07
-2.90281783e-11 1.64218239e-15 0.00000000e+00 8.41059785e+04 4.13012235e+00
4.43252801e+08 -2.88601841e+05 7.73710832e+01 -9.71528189e-03 6.64959533e-07
-2.23007878e-11 2.89938870e-16 0.00000000e+00 2.35527344e+06 -6.40512241e+02
C+ 3 1809444.482
2.25853318e+03 -1.57454401e+00 2.50363759e+00 -5.20253954e-06 4.51647956e-09
-2.18115104e-12 4.49430845e-16 0.00000000e+00 2.16895191e+05 4.34577527e+00
1.25511271e+04 -3.41187502e+01 2.54338322e+00 -2.80512097e-05 9.75164222e-09
-1.73685542e-12 1.24619194e-16 0.00000000e+00 2.17100179e+05 4.06398843e+00
5.61815495e+05 -6.04705988e+03 5.88454166e+00 -7.21189472e-04 6.82348422e-08
-2.59987863e-12 3.63386841e-17 0.00000000e+00 2.58137054e+05 -2.28001243e+01
C2 3 830457.000
5.55956757e+05 -9.98000622e+03 6.68153991e+01 -1.74341173e-01 2.44849356e-04
-1.70344706e-07 4.68447130e-11 0.00000000e+00 1.44586386e+05 -3.44818817e+02
-9.68890957e+05 3.56099020e+03 -5.06351169e-01 2.94509281e-03 -7.13928908e-07
8.67047006e-11 -4.07681670e-15 0.00000000e+00 7.68186000e+04 3.33990355e+01
6.31616742e+06 1.36534413e+04 -3.99672321e+00 1.93752303e-03 -1.58441823e-07
5.52076555e-12 -7.25360969e-17 0.00000000e+00 9.39290526e+03 6.61413426e+01
C2H 3 566205.472
7.65369105e+03 -4.18740132e+02 7.25427188e+00 -5.03701933e-03 8.23519623e-06
-4.61676824e-09 9.50926320e-13 0.00000000e+00 6.85068967e+04 -1.58602839e+01
3.99586409e+06 -1.19690929e+04 1.71383304e+01 -3.33695957e-03 6.00328130e-07
-5.49724012e-11 2.02273188e-15 0.00000000e+00 1.43142317e+05 -9.28591870e+01
0. 0. 7.59195493e+00 0. 0.
0. 0. 0. 6.41223400e+04 -2.03895009e+01
C2H2 2 228200.000
1.59813325e+05 -2.21667505e+03 1.26572561e+01 -7.98017014e-03 8.05580151e-06
-2.43394461e-09 -7.50945461e-14 0.00000000e+00 3.71263379e+04 -5.24443365e+01
1.71379212e+06 -5.92897095e+03 1.23611564e+01 1.31470625e-04 -1.36286904e-07
2.71274606e-11 -1.30208685e-15 0.00000000e+00 6.26648973e+04 -5.81886602e+01
C3 3 839948.500
-4.35456285e+04 6.66010414e+02 1.45101513e+00 7.43442531e-03 -3.81010954e-06
-2.33675605e-11 4.40699631e-13 0.00000000e+00 9.63517401e+04 2.02514928e+01
4.50804398e+06 -1.46101600e+04 2.28194701e+01 -8.54423692e-03 2.14604329e-06
-2.10384214e-10 6.35151106e-15 0.00000000e+00 1.91196492e+05 -1.27185429e+02
5.62195627e+08 -4.80014820e+05 1.48773604e+02 -1.86380758e-02 1.25369345e-06
-4.23152054e-11 5.69651073e-16 0.00000000e+00 3.77769020e+06 -1.22634937e+03
CF 2 242300.000
-4.85659087e+04 8.37066845e+02 -1.58605380e+00 1.37329926e-02 -1.54543720e-05
8.89879494e-09 -2.08319768e-12 0.00000000e+00 2.41920950e+04 3.37110765e+01
-7.30301173e+04 -3.10432552e+02 4.68755965e+00 -1.75388618e-05 1.17998295e-08
-1.88283316e-12 1.89811962e-16 0.00000000e+00 2.93490294e+04 -2.32175022e+00
CF2 2 -186600.00
-4.28469549e+04 9.42241347e+02 -3.83847378e+00 2.84787584e-02 -3.61855678e-05
2.30750321e-08 -5.91498489e-12 0.00000000e+00 -2.77993759e+04 4.66760006e+01
-1.98592186e+06 4.47486108e+03 2.05367791e+00 2.54212017e-03 -6.46636536e-07
7.98822582e-11 -3.82452258e-15 0.00000000e+00 -5.43485110e+04 2.28899734e+01
CF3 2 -467400.000
-2.89509314e+04 7.08259104e+02 -3.49874496e+00 3.60052779e-02 -4.51845638e-05
2.83046097e-08 -7.12428016e-12 0.00000000e+00 -6.05579954e+04 4.50043769e+01
-3.00992537e+05 -1.04577415e+03 1.07783067e+01 -3.11222805e-04 6.88233084e-08
-7.90018181e-12 3.66510631e-16 0.00000000e+00 -5.42636700e+04 -3.41619073e+01
CF4 2 -933500.000
9.81534964e+03 1.16366074e+02 -1.28852758e+00 3.95962388e-02 -4.99633605e-05
3.12541430e-08 -7.84194211e-12 0.00000000e+00 -1.13896083e+05 2.93876064e+01
-4.16418379e+05 -1.41489926e+03 1.40513863e+01 -4.19996407e-04 9.28167764e-08
-1.06499640e-11 4.93955439e-16 0.00000000e+00 -1.09514188e+05 -5.48720115e+01
CH 3 597338.000
2.22056413e+04 -3.40537175e+02 5.53138641e+00 -5.79489639e-03 7.96946173e-06
-4.46585989e-09 9.59622884e-13 0.00000000e+00 7.24039052e+04 -9.10756700e+00
2.06073377e+06 -5.39612964e+03 7.85618794e+00 -7.96575798e-04 1.76427377e-07
-1.97634586e-11 5.03028668e-16 0.00000000e+00 1.06219245e+05 -3.15471110e+01
-8.06826755e+08 4.57539322e+05 -9.84385128e+01 1.23522859e-02 -8.48550223e-07
3.04037261e-11 -4.40026028e-16 0.00000000e+00 -3.59580957e+06 8.95336505e+02
CH2 2 388800.000
3.52591418e+04 -3.36765436e+02 4.50893691e+00 2.52106603e-03 -5.31151087e-06
6.65421308e-09 -2.61007296e-12 0.00000000e+00 4.73772550e+04 -3.80734012e+00
2.51041594e+06 -7.95393239e+03 1.23882957e+01 -1.77590968e-03 3.21740029e-07
-3.06886344e-11 1.20490060e-15 0.00000000e+00 9.60102856e+04 -6.15597799e+01
CH3 2 146900.000
-2.87728611e+04 5.09505607e+02 1.99073056e-01 1.36396516e-02 -1.43455892e-05
1.01396738e-08 -3.02843889e-12 0.00000000e+00 1.41109873e+04 2.02339462e+01
2.76090427e+06 -9.33655279e+03 1.48769863e+01 -1.43922769e-03 2.44392393e-07
-2.22384579e-11 8.39158849e-16 0.00000000e+00 7.48476479e+04 -7.91948334e+01
CH4 2 -74600.000
-1.76654573e+05 2.78547782e+03 -1.20193547e+01 3.91462588e-02 -3.61165608e-05
2.01838794e-08 -4.95577215e-12 0.00000000e+00 -2.33101156e+04 8.90108100e+01
3.74626570e+06 -1.38885134e+04 2.05402982e+01 -1.94419693e-03 4.32387145e-07
-4.06101278e-11 1.64315927e-15 0.00000000e+00 7.56598868e+04 -1.22297711e+02
Cl 3 121301.000
2.27621585e+04 -2.16841329e+02 2.74518512e+00 2.45110169e-03 -5.45801199e-06
4.41798688e-09 -1.28813400e-12 0.00000000e+00 1.50135707e+04 3.10295076e+00
-1.69793293e+05 6.08172646e+02 2.12866409e+00 1.30736703e-04 -2.64488360e-08
2.84250478e-12 -1.25291173e-16 0.00000000e+00 9.93438740e+03 8.84475941e+00
-7.13968707e+07 4.49993633e+04 -9.26431535e+00 1.65743796e-03 -1.32621940e-07
5.53399887e-12 -8.39030188e-17 0.00000000e+00 -3.40533303e+05 1.06911130e+02
Cl2 2 0.000
3.46281724e+04 -5.54712949e+02 6.20759103e+00 -2.98963673e-03 3.17303416e-06
-1.79363467e-09 4.26005863e-13 0.00000000e+00 1.53407075e+03 -9.43835303e+00
6.09256675e+06 -1.94962688e+04 2.85453491e+01 -1.44996828e-02 4.46388943e-06
-6.35852403e-10 3.32735931e-14 0.00000000e+00 1.21211722e+05 -1.69077832e+02
CN 3 438683.448
3.94910175e+03 -1.39157387e+02 4.93077604e+00 -6.30459473e-03 1.25682136e-05
-9.87818175e-09 2.84310304e-12 0.00000000e+00 5.22845470e+04 -2.76308000e+00
-2.22797608e+06 5.04066445e+03 -2.12179448e-01 1.35488122e-03 1.32592277e-07
-6.93693400e-11 5.49489162e-15 0.00000000e+00 1.78454233e+04 3.28251898e+01
-1.79477307e+08 1.05433143e+05 -1.72959888e+01 2.19486383e-03 -8.50880168e-08
9.31846830e-13 6.35821408e-18 0.00000000e+00 -7.96247645e+05 1.91311273e+02
CN+ 3 1800490.876
-8.30280101e+05 8.77557203e+03 -2.97740322e+01 4.97682660e-02 -1.30219681e-05
-2.05830943e-08 1.12683268e-11 0.00000000e+00 1.70579088e+05 2.03989171e+02
-7.15337451e+06 1.85722746e+04 -1.08452053e+01 6.10660526e-03 -1.19119357e-06
1.18483369e-10 -4.79977687e-15 0.00000000e+00 9.26204124e+04 1.13532651e+02
-1.81294631e+08 1.12880452e+05 -2.28730839e+01 3.48458573e-03 -2.20976256e-07
6.57976539e-12 -7.55649586e-17 0.00000000e+00 -6.78420857e+05 2.36263389e+02
CO 3 -110530.000
1.48902756e+04 -2.92225095e+02 5.72445841e+00 -8.17613694e-03 1.45688598e-05
-1.08773325e-08 3.02790549e-12 0.00000000e+00 -1.30306970e+04 -7.85914715e+00
4.61915856e+05 -1.94468575e+03 5.91664709e+00 -5.66423407e-04 1.39880257e-07
-1.78766498e-11 9.62085040e-16 0.00000000e+00 -2.46573844e+03 -1.38739939e+01
8.86855241e+08 -7.50028541e+05 2.49544449e+02 -3.95630299e-02 3.29773210e-06
-1.31839398e-10 1.99891378e-15 0.00000000e+00 5.70135124e+06 -2.06067958e+03
CO+ 3 1247790.876
-2.17873999e+04 1.28881819e+02 3.76902289e+00 -3.43171391e-03 8.19387911e-06
-6.46375790e-09 1.80371143e-12 0.00000000e+00 1.48234825e+05 3.99043782e+00
2.31681660e+05 -1.05763263e+03 4.55420231e+00 4.49546934e-04 -2.48947782e-07
5.26750391e-11 -3.28947110e-15 0.00000000e+00 1.55505203e+05 -3.87341085e+00
-3.03555723e+08 2.39308392e+05 -7.03490196e+01 1.13953628e-02 -8.31506401e-07
2.86366814e-11 -3.80321984e-16 0.00000000e+00 -1.68859083e+06 6.29189365e+02
CO2 3 -393510.000
4.94378364e+04 -6.26429208e+02 5.30181336e+00 2.50360057e-03 -2.12470010e-07
-7.69148680e-10 2.84997991e-13 0.00000000e+00 -4.52818986e+04 -7.04876965e+00
1.17696943e+05 -1.78880147e+03 8.29154353e+00 -9.22477831e-05 4.86963541e-09
-1.89206384e-12 6.33067509e-16 0.00000000e+00 -3.90834501e+04 -2.65268192e+01
-1.54440623e+09 1.01683614e+06 -2.56137710e+02 3.36936393e-02 -2.18115791e-06
6.99132485e-11 -8.84221214e-16 0.00000000e+00 -8.04312850e+06 2.25415326e+03
F 3 79380.000
1.13740909e+03 -1.45339280e+02 4.07740361e+00 -4.30336014e-03 5.72889774e-06
-3.81931290e-09 1.01832251e-12 0.00000000e+00 9.31111012e+03 -3.55898265e+00
1.47350623e+04 8.14992736e+01 2.44437182e+00 2.12021003e-05 -4.54691862e-09
5.10952873e-13 -2.33389465e-17 0.00000000e+00 8.38837465e+03 5.47871064e+00
-2.92672476e+07 1.77567492e+04 -1.81446326e+00 5.35120028e-04 -3.51362080e-08
1.10151969e-12 -1.06129384e-17 0.00000000e+00 -1.31964272e+05 4.24881456e+01
F2 2 0.000
1.01817754e+04 2.27422347e+01 1.97135403e+00 8.15160123e-03 -1.14895968e-05
7.95864947e-09 -2.16707863e-12 0.00000000e+00 -9.58693453e+02 1.13059974e+01
-2.94116687e+06 9.45659515e+03 -7.73861346e+00 7.64471159e-03 -2.24100723e-06
2.91584473e-10 -1.42503371e-14 0.00000000e+00 -6.07100397e+04 8.42383313e+01
H 3 217998.828
0.00000000e+00 0.00000000e+00 2.50000000e+00 0.00000000e+00 0.00000000e+00
0.00000000e+00 0.00000000e+00 0.00000000e+00 2.54737080e+04 -4.46682853e-01
6.07877425e+01 -1.81935442e-01 2.50021182e+00 -1.22651286e-07 3.73287633e-11
-5.68774456e-15 3.41021020e-19 0.00000000e+00 2.54748640e+04 -4.48191777e-01
2.17375769e+08 -1.31203540e+05 3.39917420e+01 -3.81399968e-03 2.43285484e-07
-7.69427554e-12 9.64410563e-17 0.00000000e+00 1.06763809e+06 -2.74230105e+02
H+ 3 1536245.928
0.00000000e+00 0.00000000e+00 2.50000000e+00 0.00000000e+00 0.00000000e+00
0.00000000e+00 0.00000000e+00 0.00000000e+00 1.84021488e+05 -1.14064664e+00
0.00000000e+00 0.00000000e+00 2.50000000e+00 0.00000000e+00 0.00000000e+00
0.00000000e+00 0.00000000e+00 0.00000000e+00 1.84021488e+05 -1.14064664e+00
0.00000000e+00 0.00000000e+00 2.50000000e+00 0.00000000e+00 0.00000000e+00
0.00000000e+00 0.00000000e+00 0.00000000e+00 1.84021488e+05 -1.14064664e+00
H2 3 0.000
4.07832281e+04 -8.00918545e+02 8.21470167e+00 -1.26971436e-02 1.75360493e-05
-1.20286016e-08 3.36809316e-12 0.00000000e+00 2.68248438e+03 -3.04378866e+01
5.60812338e+05 -8.37149134e+02 2.97536304e+00 1.25224993e-03 -3.74071842e-07
5.93662825e-11 -3.60699573e-15 0.00000000e+00 5.33981585e+03 -2.20276405e+00
4.96671613e+08 -3.14744812e+05 7.98388750e+01 -8.41450419e-03 4.75306044e-07
-1.37180973e-11 1.60537460e-16 0.00000000e+00 2.48835466e+06 -6.69552419e+02
H2+ 3 1494672.430
-3.12089221e+04 2.30462995e+02 3.33556119e+00 -2.41904915e-03 7.00601261e-06
-5.61000425e-09 1.56416804e-12 0.00000000e+00 1.77410460e+05 -8.27833845e-01
1.67222618e+06 -6.59518544e+03 1.27932197e+01 -5.50934546e-03 2.03066946e-06
-3.35102754e-10 1.94608913e-14 0.00000000e+00 2.18999958e+05 -6.79271109e+01
-1.82206202e+08 1.01819129e+05 -1.24582075e+01 1.07663464e-03 -3.93220966e-08
6.28514344e-13 -2.09437896e-18 0.00000000e+00 -6.51306155e+05 1.47140561e+02
H2O 2 -241826.000
-3.94795999e+04 5.75572977e+02 9.31783351e-01 7.22271091e-03 -7.34255448e-06
4.95504134e-09 -1.33693261e-12 0.00000000e+00 -3.30397425e+04 1.72420539e+01
1.03497224e+06 -2.41269895e+03 4.64611114e+00 2.29199814e-03 -6.83683007e-07
9.42646842e-11 -4.82238028e-15 0.00000000e+00 -1.38428625e+04 -7.97815119e+00
H2O2 2 -135880.000
-9.279533580E+04 1.564748385E+03 -5.976460140E+00 3.270744520E-02 -3.932193260E-05
2.509255235E-08 -6.465045290E-12 0.000000000E+00 -2.494004728E+04 5.877174180E+01
1.489428027E+06 -5.170821780E+03 1.128204970E+01 -8.042397790E-05 -1.818383769E-08
6.947265590E-12 -4.827831900E-16 0.000000000E+00 1.418251038E+04 -4.650855660E+01
HCl 2 -92310.000
2.06258829e+04 -3.09336886e+02 5.27541885e+00 -4.82887422e-03 6.19579460e-06
-3.04002378e-09 4.91679003e-13 0.00000000e+00 -1.06778230e+04 -7.30931775e+00
9.15774951e+05 -2.77055021e+03 5.97353979e+00 -3.62981006e-04 4.73552919e-08
2.81026205e-12 -6.65610422e-16 0.00000000e+00 5.67495805e+03 -1.64282706e+01
HCN 2 135000.000
9.09829783e+04 -1.23865966e+03 8.72132229e+00 -6.52828128e-03 8.87274723e-06
-4.80890877e-09 9.31791773e-13 0.00000000e+00 2.12197899e+04 -2.74668335e+01
1.23689825e+06 -4.44676184e+03 9.73891163e+00 -5.85539810e-04 1.07285501e-07
-1.01340360e-11 3.34873666e-16 0.00000000e+00 4.24459481e+04 -4.00579742e+01
He 3 0.000
0.00000000e+00 0.00000000e+00 2.50000000e+00 0.00000000e+00 0.00000000e+00
0.00000000e+00 0.00000000e+00 0.00000000e+00 -7.45375000e+02 9.28723974e-01
0.00000000e+00 0.00000000e+00 2.50000000e+00 0.00000000e+00 0.00000000e+00
0.00000000e+00 0.00000000e+00 0.00000000e+00 -7.45375000e+02 9.28723974e-01
3.39684542e+06 -2.19403765e+03 3.08023188e+00 -8.06895755e-05 6.25278491e-09
-2.57499007e-13 4.42996022e-18 0.00000000e+00 1.65051896e+04 -4.04881439e+00
He+ 3 2378521.473
0.00000000e+00 0.00000000e+00 2.50000000e+00 0.00000000e+00 0.00000000e+00
0.00000000e+00 0.00000000e+00 0.00000000e+00 2.85323374e+05 1.62166556e+00
0.00000000e+00 0.00000000e+00 2.50000000e+00 0.00000000e+00 0.00000000e+00
0.00000000e+00 0.00000000e+00 0.00000000e+00 2.85323374e+05 1.62166556e+00
0.00000000e+00 0.00000000e+00 2.50000000e+00 0.00000000e+00 0.00000000e+00
0.00000000e+00 0.00000000e+00 0.00000000e+00 2.85323374e+05 1.62166556e+00
HO2 2 12020.000
-7.598882540E+04 1.329383918E+03 -4.677388240E+00 2.508308202E-02 -3.006551588E-05
1.895600056E-08 -4.828567390E-12 0.000000000E+00 -5.873350960E+03 5.193602140E+01
-1.810669724E+06 4.963192030E+03 -1.039498992E+00 4.560148530E-03 -1.061859447E-06
1.144567878E-10 -4.763064160E-15 0.000000000E+00 -3.200817190E+04 4.066850920E+01
N 3 472680.000
0.00000000e+00 0.00000000e+00 2.50000000e+00 0.00000000e+00 0.00000000e+00
0.00000000e+00 0.00000000e+00 0.00000000e+00 5.61046378e+04 4.19390932e+00
8.87650138e+04 -1.07123150e+02 2.36218829e+00 2.91672008e-04 -1.72951510e-07
4.01265788e-11 -2.67722757e-15 0.00000000e+00 5.69735133e+04 4.86523579e+00
5.47518105e+08 -3.10757498e+05 6.91678274e+01 -6.84798813e-03 3.82757240e-07
-1.09836771e-11 1.27798602e-16 0.00000000e+00 2.55058562e+06 -5.84876971e+02
N+ 3 1882127.624
5.23707921e+03 2.29995832e+00 2.48748882e+00 2.73749075e-05 -3.13444758e-08
1.85011133e-11 -4.44735098e-15 0.00000000e+00 2.25628474e+05 5.07683507e+00
2.90497037e+05 -8.55790861e+02 3.47738929e+00 -5.28826719e-04 1.35235031e-07
-1.38983412e-11 5.04616628e-16 0.00000000e+00 2.31080998e+05 -1.99414226e+00
1.64609215e+07 -1.11316522e+04 4.97698664e+00 -2.00539358e-04 1.02248136e-08
-2.69143086e-13 3.53993159e-18 0.00000000e+00 3.13628470e+05 -1.70664595e+01
N2 3 0.000
2.21037122e+04 -3.81846145e+02 6.08273815e+00 -8.53091381e-03 1.38464610e-05
-9.62579293e-09 2.51970560e-12 0.00000000e+00 7.10845911e+02 -1.07600320e+01
5.87709908e+05 -2.23924255e+03 6.06694267e+00 -6.13965296e-04 1.49179819e-07
-1.92309442e-11 1.06194871e-15 0.00000000e+00 1.28320618e+04 -1.58663484e+01
8.30971200e+08 -6.42048187e+05 2.02020507e+02 -3.06501961e-02 2.48685558e-06
-9.70579208e-11 1.43751673e-15 0.00000000e+00 4.93850663e+06 -1.67204791e+03
CPN2 3 0.000
0. 0. 3.5 0. 0.
0. 0. 0. 0. 0.
0. 0. 3.5 0. 0.
0. 0. 0. 0. 0.
0. 0. 3.5 0. 0.
0. 0. 0. 0. 0.
N2+ 3 1509508.424
-3.47404104e+04 2.69621543e+02 3.16491970e+00 -2.13224760e-03 6.73048636e-06
-5.63731151e-09 1.62175773e-12 0.00000000e+00 1.79000446e+05 6.83295935e+00
-2.84559747e+06 7.05888915e+03 -2.88488265e+00 3.06867527e-03 -4.36164780e-07
2.10250882e-11 5.41202519e-16 0.00000000e+00 1.34038874e+05 5.09089472e+01
-3.71283095e+08 3.13928800e+05 -9.60351986e+01 1.57119350e-02 -1.17506567e-06
4.14444172e-11 -5.62189377e-16 0.00000000e+00 -2.21736248e+06 8.43627257e+02
NCO 2 131843.928
9.50796917e+03 -1.95732986e+02 4.23512791e+00 3.90371915e-03 3.85514012e-07
-2.85351957e-09 1.23451381e-12 0.00000000e+00 1.55696257e+04 2.04252484e+00
7.39292978e+04 -1.61725838e+03 8.57491953e+00 -3.76455498e-04 7.03829586e-08
-6.68653218e-12 2.98893417e-16 0.00000000e+00 2.28940706e+04 -2.55276588e+01
NH 3 357032.001
1.35965062e+04 -1.90029565e+02 4.51849625e+00 -2.43277540e-03 2.37758524e-06
-2.59278055e-10 -2.65968566e-13 0.00000000e+00 4.28097215e+04 -3.88655464e+00
1.95814005e+06 -5.78285659e+03 9.33573752e+00 -2.29290818e-03 6.07608715e-07
-6.64793603e-11 2.38423143e-15 0.00000000e+00 7.89890925e+04 -4.11696671e+01
9.52452031e+07 -8.58576221e+04 2.98043076e+01 -2.97954712e-03 1.65632380e-07
-4.74475838e-12 5.57010457e-17 0.00000000e+00 6.96138236e+05 -2.22901475e+02
NH+ 3 1665795.114
4.25377807e+03 -2.45823599e+02 6.70892578e+00 -1.03849090e-02 1.50901050e-05
-9.58052447e-09 2.33321001e-12 0.00000000e+00 2.00108653e+05 -1.39506084e+01
1.40570994e+06 -4.13621679e+03 7.63201549e+00 -1.22832624e-03 2.72118887e-07
-2.01009966e-11 3.71725697e-17 0.00000000e+00 2.25898469e+05 -2.78678557e+01
2.39294879e+08 -1.74166248e+05 5.10791647e+01 -5.56763349e-03 3.27339769e-07
-9.79799764e-12 1.18654583e-16 0.00000000e+00 1.55470927e+06 -4.06597642e+02
NH2 2 189134.662
-3.11601645e+04 4.75073546e+02 1.37457969e+00 6.29944545e-03 -5.97605729e-06
4.48239827e-09 -1.41043554e-12 0.00000000e+00 1.92910370e+04 1.53894335e+01
1.66900789e+06 -5.61038294e+03 9.97188164e+00 -1.17828134e-03 4.23396549e-07
-6.53976978e-11 3.61987805e-15 0.00000000e+00 5.68905973e+04 -4.37935788e+01
NH3 2 -45940.000
-7.68122642e+04 1.27095161e+03 -3.89322933e+00 2.14598848e-02 -2.18376679e-05
1.31738577e-08 -3.33232227e-12 0.00000000e+00 -1.26488643e+04 4.36601505e+01
2.45238816e+06 -8.04089084e+03 1.27134588e+01 -3.98017165e-04 3.55246584e-08
2.53096956e-12 -3.32272323e-16 0.00000000e+00 4.38618973e+04 -6.46232791e+01
NO 3 91269.110
-1.14391658e+04 1.53646774e+02 3.43146865e+00 -2.66859213e-03 8.48139877e-06
-7.68511079e-09 2.38679758e-12 0.00000000e+00 9.09794974e+03 6.72872795e+00
2.23903708e+05 -1.28965624e+03 5.43394039e+00 -3.65605546e-04 9.88101763e-08
-1.41608327e-11 9.38021642e-16 0.00000000e+00 1.75029422e+04 -8.50169908e+00
-9.57530764e+08 5.91243671e+05 -1.38456733e+02 1.69433998e-02 -1.00735146e-06
2.91258526e-11 -3.29511091e-16 0.00000000e+00 -4.67750329e+06 1.24208166e+03
NO+ 3 990807.104
1.39852659e+03 -1.59049494e+02 5.12291732e+00 -6.39444005e-03 1.12392489e-05
-7.98862419e-09 2.10739504e-12 0.00000000e+00 1.18749224e+05 -4.39855768e+00
6.06984843e+05 -2.27838831e+03 6.08031794e+00 -6.06681584e-04 1.43199471e-07
-1.74798063e-11 8.93496500e-16 0.00000000e+00 1.32270602e+05 -1.51987490e+01
2.67640091e+09 -1.83294905e+06 5.09925021e+02 -7.11382025e-02 5.31766050e-06
-1.96320842e-10 2.80526850e-15 0.00000000e+00 1.44330920e+07 -4.32404518e+03
NO2 2 34193.022
-5.64204584e+04 9.63309734e+02 -2.43451851e+00 1.92776414e-02 -1.87456362e-05
9.14553637e-09 -1.77766146e-12 0.00000000e+00 -1.54793043e+03 4.06785541e+01
7.21271176e+05 -3.83253763e+03 1.11395534e+01 -2.23801440e-03 6.54762164e-07
-7.61120803e-11 3.32829926e-15 0.00000000e+00 2.50244718e+04 -4.30507224e+01
Ne 3 0.000
0.00000000e+00 0.00000000e+00 2.50000000e+00 0.00000000e+00 0.00000000e+00
0.00000000e+00 0.00000000e+00 0.00000000e+00 -7.45375000e+02 3.35532272e+00
0.00000000e+00 0.00000000e+00 2.50000000e+00 0.00000000e+00 0.00000000e+00
0.00000000e+00 0.00000000e+00 0.00000000e+00 -7.45375000e+02 3.35532272e+00
-1.23825275e+07 6.95857958e+03 1.01670929e+00 1.42466456e-04 -4.80393393e-09
-1.17021318e-13 8.41515365e-18 0.00000000e+00 -5.66393363e+04 1.64843870e+01
O 3 249175.003
-7.95361130e+03 1.60717779e+02 1.96622644e+00 1.01367031e-03 -1.11041542e-06
6.51750750e-10 -1.58477925e-13 0.00000000e+00 2.84036244e+04 8.40424182e+00
2.61902026e+05 -7.29872203e+02 3.31717727e+00 -4.28133436e-04 1.03610459e-07
-9.43830433e-12 2.72503830e-16 0.00000000e+00 3.39242806e+04 -6.67958535e-01
1.77900426e+08 -1.08232826e+05 2.81077837e+01 -2.97523226e-03 1.85499753e-07
-5.79623154e-12 7.19172016e-17 0.00000000e+00 8.89094263e+05 -2.18172815e+02
O+ 3 1568787.228
0.00000000e+00 0.00000000e+00 2.50000000e+00 0.00000000e+00 0.00000000e+00
0.00000000e+00 0.00000000e+00 0.00000000e+00 1.87935284e+05 4.39337676e+00
-2.16651321e+05 6.66545615e+02 1.70206436e+00 4.71499281e-04 -1.42713182e-07
2.01659590e-11 -9.10715776e-16 0.00000000e+00 1.83719197e+05 1.00569038e+01
-2.14383538e+08 1.46951852e+05 -3.68086454e+01 5.03616454e-03 -3.08787385e-07
9.18683487e-12 -1.07416327e-16 0.00000000e+00 -9.61420896e+05 3.42619308e+02
O2 3 0.000
-3.42556269e+04 4.84699986e+02 1.11901159e+00 4.29388743e-03 -6.83627313e-07
-2.02337478e-09 1.03904064e-12 0.00000000e+00 -3.39145434e+03 1.84969912e+01
-1.03793994e+06 2.34483275e+03 1.81972949e+00 1.26784887e-03 -2.18807142e-07
2.05372411e-11 -8.19349062e-16 0.00000000e+00 -1.68901253e+04 1.73871835e+01
4.97515261e+08 -2.86602339e+05 6.69015464e+01 -6.16971869e-03 3.01623757e-07
-7.42087888e-12 7.27744063e-17 0.00000000e+00 2.29348755e+06 -5.53044968e+02
O2+ 3 1171828.436
-8.17746071e+04 1.00476232e+03 -3.36540054e-01 6.10537849e-03 -2.70414396e-06
-3.01196202e-10 4.16272255e-13 0.00000000e+00 1.34792023e+05 2.78321591e+01
7.36613050e+04 -8.45858362e+02 4.98541998e+00 -1.61328191e-04 6.43445548e-08
-1.50600823e-11 1.57904421e-15 0.00000000e+00 1.44631062e+05 -5.81278407e+00
-1.56225883e+09 1.16148087e+06 -3.30267037e+02 4.71112832e-02 -3.35458085e-06
1.16800722e-10 -1.58980527e-15 0.00000000e+00 -8.85846055e+06 2.85218069e+03
OH 3 39347.106
-1.99886366e+03 9.30014295e+01 3.05085385e+00 1.52953035e-03 -3.15789256e-06
3.31544734e-09 -1.13876303e-12 0.00000000e+00 3.24004397e+03 4.67411290e+00
1.01739349e+06 -2.50995748e+03 5.11654809e+00 1.30529875e-04 -8.28431902e-08
2.00647550e-11 -1.55699342e-15 0.00000000e+00 2.04452334e+04 -1.10128250e+01
2.84724229e+08 -1.85953704e+05 5.00825057e+01 -5.14238586e-03 2.87554326e-07
-8.22883906e-12 9.56725603e-17 0.00000000e+00 1.46864630e+06 -4.02356407e+02
Si 3 450000.000
9.83614081e+01 1.54654452e+02 1.87643667e+00 1.32063800e-03 -1.52972006e-06
8.95056277e-10 -1.95287349e-13 0.00000000e+00 5.26351031e+04 9.69828888e+00
-6.16929885e+05 2.24068393e+03 -4.44861932e-01 1.71005632e-03 -4.10771416e-07
4.55888478e-11 -1.88951535e-15 0.00000000e+00 3.95355876e+04 2.67966806e+01
-9.28654894e+08 5.44398989e+05 -1.20673974e+02 1.35966270e-02 -7.60649866e-07
2.14974607e-11 -2.47411677e-16 0.00000000e+00 -4.29379212e+06 1.08638284e+03
SiO 2 -98842.860
-4.60579335e+04 7.88008654e+02 -1.52373799e+00 1.41931317e-02 -1.66800664e-05
9.99331149e-09 -2.42820390e-12 0.00000000e+00 -1.65800032e+04 3.29397543e+01
-2.29083217e+05 6.00671324e+01 4.47768446e+00 -8.55465297e-05 1.02072020e-07
-3.23332906e-11 3.52510129e-15 0.00000000e+00 -1.41706507e+04 -7.14499047e-01
e 3 0.000
0.00000000e+00 0.00000000e+00 2.50000000e+00 0.00000000e+00 0.00000000e+00
0.00000000e+00 0.00000000e+00 0.00000000e+00 -7.45375000e+02 -1.17208127e+01
0.00000000e+00 0.00000000e+00 2.50000000e+00 0.00000000e+00 0.00000000e+00
0.00000000e+00 0.00000000e+00 0.00000000e+00 -7.45375000e+02 -1.17208127e+01
0.00000000e+00 0.00000000e+00 2.50000000e+00 0.00000000e+00 0.00000000e+00
0.00000000e+00 0.00000000e+00 0.00000000e+00 -7.45375000e+02 -1.17208127e+01
\end{verbatim}
\nolinenumbers