# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2022--Erhard-L-C-Rohrer-J-Albe-K-Deringer-V-L--Si-O # implementation = 2022--Erhard-L-C--Si-O--LAMMPS--ipr1 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-12-14 r 8 8 14 14 14 8 0.02 1.291242575e+02 7.878276179e+01 1.165292364e+02 0.04 1.255946862e+02 7.753001977e+01 1.125541106e+02 0.06 1.220311370e+02 7.627511140e+01 1.086499859e+02 0.08 1.184371016e+02 7.501849181e+01 1.048174488e+02 0.10 1.148161247e+02 7.376059615e+01 1.010570088e+02 0.12 1.111718103e+02 7.250183901e+01 9.736909748e+01 0.14 1.075078299e+02 7.124261388e+01 9.375406635e+01 0.16 1.038279333e+02 6.998329250e+01 9.021218422e+01 0.18 1.001359596e+02 6.872422430e+01 8.674363454e+01 0.20 9.643584887e+01 6.746573585e+01 8.334851230e+01 0.22 9.273165322e+01 6.620813028e+01 8.002682063e+01 0.24 8.902754606e+01 6.495168693e+01 7.677846727e+01 0.26 8.532782929e+01 6.369666086e+01 7.360326093e+01 0.28 8.163693733e+01 6.244328271e+01 7.050090754e+01 0.30 7.795943754e+01 6.119175844e+01 6.747100657e+01 0.32 7.430002664e+01 5.994226932e+01 6.451304753e+01 0.34 7.066352277e+01 5.869497203e+01 6.162640660e+01 0.36 6.705485321e+01 5.744999879e+01 5.881034364e+01 0.38 6.347903788e+01 5.620745774e+01 5.606399964e+01 0.40 5.994116903e+01 5.496743327e+01 5.338639475e+01 0.42 5.644638753e+01 5.372998661e+01 5.077642701e+01 0.44 5.299985641e+01 5.249515643e+01 4.823287203e+01 0.46 4.960673250e+01 5.126295955e+01 4.575438372e+01 0.48 4.627213669e+01 5.003339184e+01 4.333949654e+01 0.50 4.300112381e+01 4.880642912e+01 4.098662929e+01 0.52 3.979865261e+01 4.758202833e+01 3.869409103e+01 0.54 3.666955651e+01 4.636012883e+01 3.646008947e+01 0.56 3.361851550e+01 4.514065383e+01 3.428274208e+01 0.58 3.065002944e+01 4.392351222e+01 3.216009059e+01 0.60 2.776839292e+01 4.270860059e+01 3.009011906e+01 0.62 2.497767149e+01 4.149580563e+01 2.807077595e+01 0.64 2.228167913e+01 4.028500693e+01 2.610000037e+01 0.66 1.968395660e+01 3.907608023e+01 2.417575240e+01 0.68 1.718775028e+01 3.786890109e+01 2.229604749e+01 0.70 1.479599121e+01 3.666334914e+01 2.045899417e+01 0.72 1.251127382e+01 3.545931277e+01 1.866283447e+01 0.74 1.033583435e+01 3.425669434e+01 1.690598572e+01 0.76 8.271528674e+00 3.305541582e+01 1.518708228e+01 0.78 6.319809865e+00 3.185542487e+01 1.350501537e+01 0.80 4.481705646e+00 3.065670115e+01 1.185896903e+01 0.82 2.757796483e+00 2.945926292e+01 1.024844992e+01 0.84 1.148194996e+00 2.826317362e+01 8.673309098e+00 0.86 -3.474722504e-01 2.706854842e+01 7.133753593e+00 0.88 -1.730079494e+00 2.587556044e+01 5.630346488e+00 0.90 -3.001011826e+00 2.468444666e+01 4.163994387e+00 0.92 -4.162169359e+00 2.349551310e+01 2.735921947e+00 0.94 -5.215964383e+00 2.230913937e+01 1.347633913e+00 0.96 -6.165310591e+00 2.112578227e+01 8.658266150e-04 0.98 -7.013603666e+00 1.994597849e+01 -1.302474780e+00 1.00 -7.764692910e+00 1.877034620e+01 -2.560374119e+00 1.02 -8.422843915e+00 1.759958563e+01 -3.770781992e+00 1.04 -8.992692730e+00 1.643447869e+01 -4.931682575e+00 1.06 -9.479192365e+00 1.527588756e+01 -6.041163045e+00 1.08 -9.887552846e+00 1.412475254e+01 -7.097477169e+00 1.10 -1.022317638e+01 1.298208923e+01 -8.099101361e+00 1.12 -1.049158942e+01 1.184898510e+01 -9.044781362e+00 1.14 -1.069837358e+01 1.072659589e+01 -9.933568243e+00 1.16 -1.084909733e+01 9.616141553e+00 -1.076484321e+01 1.18 -1.094925055e+01 8.518902308e+00 -1.153833125e+01 1.20 -1.100418353e+01 7.436214415e+00 -1.225410435e+01 1.22 -1.101905203e+01 6.369465911e+00 -1.291257522e+01 1.24 -1.099876960e+01 5.320092054e+00 -1.351448319e+01 1.26 -1.094796809e+01 4.289570313e+00 -1.406087361e+01 1.28 -1.087096664e+01 3.279414610e+00 -1.455307254e+01 1.30 -1.077174953e+01 2.291168461e+00 -1.499265827e+01 1.32 -1.065395250e+01 1.326396657e+00 -1.538143097e+01 1.34 -1.052085715e+01 3.866750630e-01 -1.572138185e+01 1.36 -1.037539272e+01 -5.264217855e-01 -1.601466247e+01 1.38 -1.022014424e+01 -1.411335599e+00 -1.626355517e+01 1.40 -1.005736621e+01 -2.266541912e+00 -1.647044480e+01 1.42 -9.889000723e+00 -3.090570329e+00 -1.663779209e+01 1.44 -9.716698906e+00 -3.882027270e+00 -1.676810876e+01 1.46 -9.541844838e+00 -4.639620800e+00 -1.686393418e+01 1.48 -9.365580936e+00 -5.362186948e+00 -1.692781354e+01 1.50 -9.188834011e+00 -6.048716692e+00 -1.696227749e+01 1.52 -9.012341313e+00 -6.698382601e+00 -1.696982290e+01 1.54 -8.836675959e+00 -7.310564009e+00 -1.695289498e+01 1.56 -8.662271256e+00 -7.884869521e+00 -1.691387051e+01 1.58 -8.489443581e+00 -8.421155646e+00 -1.685504242e+01 1.60 -8.318413510e+00 -8.919540449e+00 -1.677860579e+01 1.62 -8.149325023e+00 -9.380411292e+00 -1.668664547e+01 1.64 -7.982262689e+00 -9.804425939e+00 -1.658112550e+01 1.66 -7.817266749e+00 -1.019250665e+01 -1.646388064e+01 1.68 -7.654346148e+00 -1.054582719e+01 -1.633660996e+01 1.70 -7.493489540e+00 -1.086579303e+01 -1.620087290e+01 1.72 -7.334674378e+00 -1.115401540e+01 -1.605808755e+01 1.74 -7.177874206e+00 -1.141228008e+01 -1.590953139e+01 1.76 -7.023064315e+00 -1.164251216e+01 -1.575634412e+01 1.78 -6.870225916e+00 -1.184673802e+01 -1.559953256e+01 1.80 -6.719349020e+00 -1.202704609e+01 -1.543997728e+01 1.82 -6.570434213e+00 -1.218554768e+01 -1.527844064e+01 1.84 -6.423493507e+00 -1.232433930e+01 -1.511557590e+01 1.86 -6.278550449e+00 -1.244546769e+01 -1.495193704e+01 1.88 -6.135639669e+00 -1.255089851e+01 -1.478798902e+01 1.90 -5.994806006e+00 -1.264248948e+01 -1.462411797e+01 1.92 -5.856103362e+00 -1.272196852e+01 -1.446064129e+01 1.94 -5.719593394e+00 -1.279091706e+01 -1.429781724e+01 1.96 -5.585344124e+00 -1.285075871e+01 -1.413585392e+01 1.98 -5.453428549e+00 -1.290275294e+01 -1.397491758e+01 2.00 -5.323923277e+00 -1.294799363e+01 -1.381514002e+01 2.02 -5.196907214e+00 -1.298741180e+01 -1.365662532e+01 2.04 -5.072460294e+00 -1.302178213e+01 -1.349945563e+01 2.06 -4.950662255e+00 -1.305173259e+01 -1.334369630e+01 2.08 -4.831591415e+00 -1.307775654e+01 -1.318940018e+01 2.10 -4.715323439e+00 -1.310022659e+01 -1.303661138e+01 2.12 -4.601930063e+00 -1.311940980e+01 -1.288536830e+01 2.14 -4.491477757e+00 -1.313548341e+01 -1.273570624e+01 2.16 -4.384026324e+00 -1.314855082e+01 -1.258765942e+01 2.18 -4.279627443e+00 -1.315865719e+01 -1.244126262e+01 2.20 -4.178323168e+00 -1.316580432e+01 -1.229655238e+01 2.22 -4.080144437e+00 -1.316996457e+01 -1.215356782e+01 2.24 -3.985109633e+00 -1.317109344e+01 -1.201235112e+01 2.26 -3.893223266e+00 -1.316914067e+01 -1.187294765e+01 2.28 -3.804474843e+00 -1.316405977e+01 -1.173540588e+01 2.30 -3.718838008e+00 -1.315581576e+01 -1.159977689e+01 2.32 -3.636270000e+00 -1.314439133e+01 -1.146611378e+01 2.34 -3.556711517e+00 -1.312979121e+01 -1.133447079e+01 2.36 -3.480087000e+00 -1.311204499e+01 -1.120490231e+01 2.38 -3.406305392e+00 -1.309120844e+01 -1.107746177e+01 2.40 -3.335261344e+00 -1.306736352e+01 -1.095220046e+01 2.42 -3.266836882e+00 -1.304061713e+01 -1.082916636e+01 2.44 -3.200903482e+00 -1.301109907e+01 -1.070840291e+01 2.46 -3.137324481e+00 -1.297895903e+01 -1.058994798e+01 2.48 -3.075957767e+00 -1.294436316e+01 -1.047383281e+01 2.50 -3.016658659e+00 -1.290749024e+01 -1.036008119e+01 2.52 -2.959282861e+00 -1.286852765e+01 -1.024870872e+01 2.54 -2.903689413e+00 -1.282766733e+01 -1.013972229e+01 2.56 -2.849743537e+00 -1.278510199e+01 -1.003311975e+01 2.58 -2.797319272e+00 -1.274102145e+01 -9.928889761e+00 2.60 -2.746301851e+00 -1.269560948e+01 -9.827011867e+00 2.62 -2.696589714e+00 -1.264904103e+01 -9.727456751e+00 2.64 -2.648096134e+00 -1.260147997e+01 -9.630186695e+00 2.66 -2.600750405e+00 -1.255307742e+01 -9.535156219e+00 2.68 -2.554498561e+00 -1.250397056e+01 -9.442312898e+00 2.70 -2.509303631e+00 -1.245428196e+01 -9.351598320e+00 2.72 -2.465145426e+00 -1.240411946e+01 -9.262949168e+00 2.74 -2.422019865e+00 -1.235357644e+01 -9.176298445e+00 2.76 -2.379937884e+00 -1.230273251e+01 -9.091576714e+00 2.78 -2.338923941e+00 -1.225165453e+01 -9.008713440e+00 2.80 -2.299014171e+00 -1.220039786e+01 -8.927638301e+00 2.82 -2.260254244e+00 -1.214900782e+01 -8.848282501e+00 2.84 -2.222696969e+00 -1.209752129e+01 -8.770579989e+00 2.86 -2.186399718e+00 -1.204596831e+01 -8.694468599e+00 2.88 -2.151421721e+00 -1.199437369e+01 -8.619891066e+00 2.90 -2.117821331e+00 -1.194275860e+01 -8.546795836e+00 2.92 -2.085653289e+00 -1.189114195e+01 -8.475137729e+00 2.94 -2.054966104e+00 -1.183954167e+01 -8.404878369e+00 2.96 -2.025799603e+00 -1.178797581e+01 -8.335986403e+00 2.98 -1.998182720e+00 -1.173646341e+01 -8.268437477e+00 3.00 -1.972131594e+00 -1.168502514e+01 -8.202214020e+00 3.02 -1.947648047e+00 -1.163368377e+01 -8.137304776e+00 3.04 -1.924718470e+00 -1.158246432e+01 -8.073704187e+00 3.06 -1.903313174e+00 -1.153139414e+01 -8.011411591e+00 3.08 -1.883386221e+00 -1.148050273e+01 -7.950430264e+00 3.10 -1.864875745e+00 -1.142982138e+01 -7.890766413e+00 3.12 -1.847704763e+00 -1.137938277e+01 -7.832428063e+00 3.14 -1.831782441e+00 -1.132922042e+01 -7.775423928e+00 3.16 -1.817005803e+00 -1.127936807e+01 -7.719762314e+00 3.18 -1.803261800e+00 -1.122985905e+01 -7.665450046e+00 3.20 -1.790429702e+00 -1.118072565e+01 -7.612491481e+00 3.22 -1.778383738e+00 -1.113199848e+01 -7.560887635e+00 3.24 -1.766995890e+00 -1.108370596e+01 -7.510635427e+00 3.26 -1.756138775e+00 -1.103587376e+01 -7.461727077e+00 3.28 -1.745688536e+00 -1.098852447e+01 -7.414149667e+00 3.30 -1.735527633e+00 -1.094167721e+01 -7.367884855e+00 3.32 -1.725547493e+00 -1.089534751e+01 -7.322908785e+00 3.34 -1.715650917e+00 -1.084954716e+01 -7.279192135e+00 3.36 -1.705754209e+00 -1.080428429e+01 -7.236700354e+00 3.38 -1.695788945e+00 -1.075956347e+01 -7.195394048e+00 3.40 -1.685703366e+00 -1.071538597e+01 -7.155229507e+00 3.42 -1.675463342e+00 -1.067175005e+01 -7.116159358e+00 3.44 -1.665052900e+00 -1.062865146e+01 -7.078133353e+00 3.46 -1.654474293e+00 -1.058608381e+01 -7.041099229e+00 3.48 -1.643747631e+00 -1.054403921e+01 -7.005003667e+00 3.50 -1.632910051e+00 -1.050250874e+01 -6.969793295e+00 3.52 -1.622014486e+00 -1.046148311e+01 -6.935415750e+00 3.54 -1.611128034e+00 -1.042095319e+01 -6.901820734e+00 3.56 -1.600329975e+00 -1.038091059e+01 -6.868961094e+00 3.58 -1.589709488e+00 -1.034134818e+01 -6.836793855e+00 3.60 -1.579363112e+00 -1.030226055e+01 -6.805281224e+00 3.62 -1.569392022e+00 -1.026364442e+01 -6.774391530e+00 3.64 -1.559899171e+00 -1.022549895e+01 -6.744100077e+00 3.66 -1.550986384e+00 -1.018782599e+01 -6.714389895e+00 3.68 -1.542751450e+00 -1.015063021e+01 -6.685252379e+00 3.70 -1.535285313e+00 -1.011391914e+01 -6.656687804e+00 3.72 -1.528669402e+00 -1.007770311e+01 -6.628705681e+00 3.74 -1.522973181e+00 -1.004199509e+01 -6.601324984e+00 3.76 -1.518251970e+00 -1.000681046e+01 -6.574574203e+00 3.78 -1.514545097e+00 -9.972166681e+00 -6.548491248e+00 3.80 -1.511874411e+00 -9.938082852e+00 -6.523123196e+00 3.82 -1.510243199e+00 -9.904579293e+00 -6.498525865e+00 3.84 -1.509635520e+00 -9.871677005e+00 -6.474763273e+00 3.86 -1.510015965e+00 -9.839397122e+00 -6.451906922e+00 3.88 -1.511329849e+00 -9.807760343e+00 -6.430034978e+00 3.90 -1.513503808e+00 -9.776786355e+00 -6.409231329e+00 3.92 -1.516446781e+00 -9.746493256e+00 -6.389584544e+00 3.94 -1.520051356e+00 -9.716897013e+00 -6.371186752e+00 3.96 -1.524195413e+00 -9.688010941e+00 -6.354132460e+00 3.98 -1.528744052e+00 -9.659845234e+00 -6.338517307e+00 4.00 -1.533551718e+00 -9.632406548e+00 -6.324436807e+00 4.02 -1.538316340e+00 -9.605273609e+00 -6.310983725e+00 4.04 -1.542656178e+00 -9.578115720e+00 -6.297342579e+00 4.06 -1.546302678e+00 -9.551050624e+00 -6.283741297e+00 4.08 -1.549001051e+00 -9.524167148e+00 -6.270396272e+00 4.10 -1.550522176e+00 -9.497526452e+00 -6.257505038e+00 4.12 -1.550673878e+00 -9.471164282e+00 -6.245239038e+00 4.14 -1.549310960e+00 -9.445094123e+00 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