# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2012--Kinaci-A-Haskins-J-B-Sevik-C-Cagin-T--B-N-C # implementation = 2012--Kinaci-A--B-N-C--LAMMPS--ipr1 # composition = N # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan 1.438978462e+02 nan nan 1.816988605e+02 nan 0.52 nan nan nan nan nan 1.242949053e+02 nan nan 1.527606171e+02 nan 0.54 nan 1.966440556e+02 nan nan nan 1.054859287e+02 2.003028109e+02 nan 1.294546282e+02 1.971380661e+02 0.56 nan 1.664429679e+02 nan nan nan 8.866080875e+01 1.718878866e+02 nan 1.091653409e+02 1.656761738e+02 0.58 nan 1.428547319e+02 2.093271088e+02 nan nan 7.483619714e+01 1.454603480e+02 2.147927107e+02 9.117589055e+01 1.440411877e+02 0.60 2.027219291e+02 1.210432871e+02 1.744398385e+02 2.034584667e+02 2.046542080e+02 6.200011511e+01 1.250326797e+02 1.865300224e+02 7.652409228e+01 1.250354362e+02 0.62 1.772233138e+02 1.045135781e+02 1.526435337e+02 1.764180092e+02 1.775943602e+02 5.241065495e+01 1.101851174e+02 1.626912541e+02 6.428417412e+01 1.068709855e+02 0.64 1.552920237e+02 9.181547864e+01 1.368412309e+02 1.532274011e+02 1.527386007e+02 4.582071518e+01 9.502941817e+01 1.416499479e+02 5.428736937e+01 9.131710439e+01 0.66 1.341248092e+02 7.837763720e+01 1.204234319e+02 1.332984682e+02 1.315601235e+02 3.956275112e+01 8.067711898e+01 1.222583879e+02 4.717669100e+01 7.651840333e+01 0.68 1.160429192e+02 6.746285594e+01 1.041383390e+02 1.167567889e+02 1.155787609e+02 3.317340059e+01 6.770641593e+01 1.070826763e+02 4.108224062e+01 6.423762187e+01 0.70 1.025661805e+02 5.922547986e+01 8.986096277e+01 1.029769175e+02 1.026741615e+02 2.652731851e+01 5.626966507e+01 9.564628917e+01 3.579713856e+01 5.470512055e+01 0.72 9.283624543e+01 5.042395721e+01 7.839479064e+01 9.203153937e+01 9.221300851e+01 2.065490646e+01 4.774037748e+01 8.439007264e+01 3.149471752e+01 4.790811513e+01 0.74 8.117864795e+01 4.105594920e+01 6.977753748e+01 8.095696223e+01 8.177067575e+01 1.690445589e+01 4.222732107e+01 7.115235767e+01 2.675324447e+01 4.270835224e+01 0.76 6.771762494e+01 3.377037795e+01 6.195447076e+01 6.879182989e+01 6.997308503e+01 1.523234640e+01 3.771712650e+01 5.926406302e+01 2.173319603e+01 3.893538511e+01 0.78 5.628221297e+01 2.966454498e+01 5.178597828e+01 5.801586473e+01 5.907047680e+01 1.299725816e+01 3.311730341e+01 5.114483493e+01 1.789671675e+01 3.547809740e+01 0.80 4.974406331e+01 2.706311889e+01 4.159381809e+01 5.052133366e+01 5.101214863e+01 1.042872121e+01 2.880346450e+01 4.565861964e+01 1.524231027e+01 3.094654649e+01 0.82 4.468678717e+01 2.463882163e+01 3.478244425e+01 4.450832486e+01 4.447763898e+01 8.329508678e+00 2.552425958e+01 4.075594292e+01 1.264389124e+01 2.570675932e+01 0.84 4.022807438e+01 2.192764687e+01 3.104644778e+01 3.939651161e+01 3.863946933e+01 7.088591262e+00 2.310884623e+01 3.629161389e+01 9.924306043e+00 2.123245607e+01 0.86 3.649467602e+01 1.852268677e+01 2.789135819e+01 3.515186549e+01 3.380906993e+01 5.912519242e+00 2.053263613e+01 3.214505515e+01 7.693444125e+00 1.845811791e+01 0.88 3.184510713e+01 1.484586497e+01 2.492611176e+01 3.070127726e+01 2.955745889e+01 4.778821715e+00 1.782543068e+01 2.765479601e+01 6.054750329e+00 1.532510308e+01 0.90 2.673744364e+01 1.185133755e+01 2.248001660e+01 2.629822054e+01 2.585899109e+01 3.948092659e+00 1.482011041e+01 2.361961224e+01 4.686701159e+00 1.167014410e+01 0.92 2.239593074e+01 1.001930981e+01 2.062331990e+01 2.254283637e+01 2.268970235e+01 3.491594239e+00 1.185377471e+01 2.038190432e+01 3.600608595e+00 8.556946372e+00 0.94 1.982573255e+01 8.947264819e+00 1.897253718e+01 2.016785546e+01 2.050992347e+01 3.119930878e+00 8.766859065e+00 1.815502560e+01 2.855964647e+00 6.992079245e+00 0.96 1.818334950e+01 8.103022513e+00 1.740403108e+01 1.852329859e+01 1.886319724e+01 2.786028236e+00 6.236731913e+00 1.608147864e+01 2.473116841e+00 6.296131742e+00 0.98 1.611822273e+01 7.106628982e+00 1.563822073e+01 1.659878772e+01 1.707931415e+01 2.486036575e+00 4.542468129e+00 1.386940052e+01 2.169890072e+00 5.405343833e+00 1.00 1.385784186e+01 6.054936346e+00 1.373124104e+01 1.454161729e+01 1.522537072e+01 2.188501364e+00 3.566573338e+00 1.187339273e+01 1.851845987e+00 4.424471248e+00 1.02 1.179700164e+01 5.097995445e+00 1.118775272e+01 1.244634585e+01 1.309568575e+01 1.657754015e+00 2.956152039e+00 1.041418056e+01 1.472142529e+00 3.536736290e+00 1.04 1.027970544e+01 4.085826907e+00 8.367933744e+00 1.061926364e+01 1.095883101e+01 9.687109582e-01 2.322528330e+00 9.384810402e+00 1.068790189e+00 2.899752785e+00 1.06 9.385049376e+00 3.041240841e+00 5.867969455e+00 9.277031254e+00 9.169028261e+00 2.992066579e-01 1.765899976e+00 8.583244839e+00 7.122942185e-01 2.547701070e+00 1.08 8.635360503e+00 1.856209013e+00 4.013763535e+00 8.219818280e+00 7.804294592e+00 -1.773796294e-01 1.373130397e+00 7.653428869e+00 4.141453299e-01 2.261935947e+00 1.10 7.935386847e+00 7.236187713e-01 3.234402045e+00 7.461635989e+00 6.987903907e+00 -3.398175313e-01 1.151596170e+00 6.464381526e+00 1.708238920e-01 2.000476532e+00 1.12 6.798696231e+00 -8.749493126e-02 2.902797672e+00 6.411878663e+00 6.025076130e+00 -3.766595301e-01 9.685000235e-01 4.852334118e+00 -4.254789846e-02 1.626240081e+00 1.14 5.154630584e+00 -5.498237734e-01 2.599830166e+00 4.914297615e+00 4.673973687e+00 -4.072762598e-01 8.042624526e-01 3.120283044e+00 -2.126818506e-01 1.123267203e+00 1.16 3.321729581e+00 -8.516306825e-01 2.323161740e+00 3.257211742e+00 3.192698001e+00 -4.323722810e-01 6.570524257e-01 1.625825303e+00 -3.185703239e-01 5.909146734e-01 1.18 1.652138634e+00 -9.895994124e-01 1.961326664e+00 1.749705451e+00 1.847275063e+00 -5.028909468e-01 4.788602391e-01 6.411734984e-01 -3.858335837e-01 1.335161595e-01 1.20 5.384258943e-01 -1.073694216e+00 1.359788269e+00 7.153570688e-01 8.922921156e-01 -6.871523955e-01 2.516139518e-01 2.087752040e-01 -5.089780713e-01 -1.606063132e-01 1.22 2.305531708e-01 -1.098529102e+00 6.297844970e-01 3.660374496e-01 5.015248673e-01 -9.337496419e-01 1.186611524e-02 9.312597882e-02 -6.629977511e-01 -2.620772931e-01 1.24 1.146216417e-01 -1.106341128e+00 -9.389340474e-02 1.858477984e-01 2.570756747e-01 -1.194933628e+00 -2.018364900e-01 -1.003397204e-02 -8.109713708e-01 -3.162968153e-01 1.26 1.092446086e-02 -1.109250589e+00 -6.679910554e-01 3.436565645e-02 5.780743956e-02 -1.424555630e+00 -3.572256524e-01 -1.017697761e-01 -9.195036008e-01 -3.628773878e-01 1.28 -8.156087074e-02 -1.107822128e+00 -9.631825905e-01 -8.036396862e-02 -7.916703498e-02 -1.538539035e+00 -4.363878785e-01 -1.918480651e-01 -9.681833772e-01 -4.025769021e-01 1.30 -1.637784854e-01 -1.102569785e+00 -1.002987126e+00 -1.638033741e-01 -1.638282627e-01 -1.496101552e+00 -4.700907002e-01 -3.045267926e-01 -9.900212515e-01 -4.360858165e-01 1.32 -2.365999466e-01 -1.093961085e+00 -1.022132204e+00 -2.366240266e-01 -2.366481067e-01 -1.444438708e+00 -5.452284793e-01 -4.291310881e-01 -1.031744062e+00 -4.640328920e-01 1.34 -3.008296219e-01 -1.082420803e+00 -1.036047586e+00 -3.008529014e-01 -3.008761810e-01 -1.394049407e+00 -6.786307607e-01 -5.500240591e-01 -1.083313142e+00 -4.869904509e-01 1.36 -3.869318308e-01 -1.068334452e+00 -1.045259066e+00 -3.869536798e-01 -3.869755289e-01 -1.344943884e+00 -8.384394832e-01 -6.706621318e-01 -1.129361481e+00 -5.386753088e-01 1.38 -5.386481543e-01 -1.052051498e+00 -1.050249746e+00 -5.386660442e-01 -5.386839342e-01 -1.297127700e+00 -9.925489490e-01 -8.069159986e-01 -1.154798240e+00 -6.644213582e-01 1.40 -7.293672169e-01 -1.033888325e+00 -1.051463184e+00 -7.293769756e-01 -7.293867343e-01 -1.250602210e+00 -1.111815410e+00 -9.358378942e-01 -1.145069955e+00 -8.296517244e-01 1.42 -9.268851235e-01 -1.014130980e+00 -1.049306336e+00 -9.268818828e-01 -9.268786421e-01 -1.205364997e+00 -1.171770040e+00 -1.051468254e+00 -1.104337070e+00 -1.000153007e+00 1.44 -1.098463944e+00 -9.930376987e-01 -1.044152279e+00 -1.098444832e+00 -1.098425721e+00 -1.161410263e+00 -1.160489767e+00 -1.148972952e+00 -1.063036235e+00 -1.149340279e+00 1.46 -1.214675055e+00 -9.708412365e-01 -1.036342751e+00 -1.214642213e+00 -1.214609370e+00 -1.118729199e+00 -1.127292560e+00 -1.210618444e+00 -1.022894225e+00 -1.252915648e+00 1.48 -1.255509889e+00 -9.477510190e-01 -1.026190505e+00 -1.255471205e+00 -1.255432521e+00 -1.077310319e+00 -1.094153299e+00 -1.225420840e+00 -9.839128919e-01 -1.280703752e+00 1.50 -1.238384721e+00 -9.239551236e-01 -1.013981499e+00 -1.238347705e+00 -1.238310690e+00 -1.037139771e+00 -1.061173448e+00 -1.204857580e+00 -9.460900018e-01 -1.240451353e+00 1.52 -1.217448649e+00 -8.996221062e-01 -9.999769293e-01 -1.217413529e+00 -1.217378408e+00 -9.982016184e-01 -1.028442535e+00 -1.181681505e+00 -9.094197120e-01 -1.198181818e+00 1.54 -1.195248591e+00 -8.749026837e-01 -9.844151204e-01 -1.195215268e+00 -1.195181945e+00 -9.604781035e-01 -9.997161414e-01 -1.157489764e+00 -8.738929998e-01 -1.156908169e+00 1.56 -1.171977744e+00 -8.508398187e-01 -9.675132781e-01 -1.171946127e+00 -1.171914510e+00 -9.239498824e-01 -9.770126977e-01 -1.132460151e+00 -8.380863013e-01 -1.116643678e+00 1.58 -1.147812350e+00 -8.331617916e-01 -9.494691170e-01 -1.147782351e+00 -1.147752353e+00 -8.885962456e-01 -9.576602362e-01 -1.106754177e+00 -7.992006251e-01 -1.077397400e+00 1.60 -1.122912946e+00 -8.183081306e-01 -9.304623722e-01 -1.122884483e+00 -1.122856021e+00 -8.543953167e-01 -9.393130209e-01 -1.080518318e+00 -7.583040118e-01 -1.039174589e+00 1.62 -1.097425542e+00 -8.009482120e-01 -9.106562006e-01 -1.097398536e+00 -1.097371530e+00 -8.213242350e-01 -9.201780357e-01 -1.053885166e+00 -7.172150497e-01 -1.001977072e+00 1.64 -1.071482704e+00 -7.779903805e-01 -8.901984817e-01 -1.071457081e+00 -1.071431457e+00 -7.893593213e-01 -8.987629894e-01 -1.026974505e+00 -6.781227444e-01 -9.658035994e-01 1.66 -1.045204579e+00 -7.496669360e-01 -8.724677011e-01 -1.045180267e+00 -1.045155956e+00 -7.584762296e-01 -8.735937722e-01 -9.998943115e-01 -6.429213813e-01 -9.306501683e-01 1.68 -1.018699834e+00 -7.187766043e-01 -8.639254560e-01 -1.018676767e+00 -1.018653699e+00 -7.286500843e-01 -8.435646109e-01 -9.727416826e-01 -6.123546233e-01 -8.965103161e-01 1.70 -9.920665399e-01 -6.885029918e-01 -8.602367001e-01 -9.920446533e-01 -9.920227667e-01 -6.998556051e-01 -8.115193419e-01 -9.456036957e-01 -5.857475964e-01 -8.633753944e-01 1.72 -9.653929904e-01 -6.548208474e-01 -8.567257730e-01 -9.653722241e-01 -9.653514578e-01 -6.720672201e-01 -7.804801238e-01 -9.185582117e-01 -5.616866519e-01 -8.312348186e-01 1.74 -9.387584642e-01 -6.113959557e-01 -8.499877674e-01 -9.387387609e-01 -9.387190576e-01 -6.452591679e-01 -7.504316087e-01 -8.916746172e-01 -5.386302832e-01 -8.000762985e-01 1.76 -9.122339335e-01 -5.572225946e-01 -8.383011948e-01 -9.122152389e-01 -9.121965442e-01 -6.194055897e-01 -7.213571706e-01 -8.650145147e-01 -5.164407938e-01 -7.698860486e-01 1.78 -8.858827234e-01 -4.929365761e-01 -8.212699223e-01 -8.858649857e-01 -8.858472480e-01 -5.944806122e-01 -6.932390912e-01 -8.386323622e-01 -4.950910480e-01 -7.406489820e-01 1.80 -8.597611235e-01 -4.216296116e-01 -7.991255001e-01 -8.597442937e-01 -8.597274640e-01 -5.704584222e-01 -6.655743343e-01 -8.125760670e-01 -4.745543510e-01 -7.123488875e-01 1.82 -8.339189573e-01 -3.494644005e-01 -7.723771213e-01 -8.339029890e-01 -8.338870208e-01 -5.473133327e-01 -6.346832926e-01 -7.868875353e-01 -4.548044778e-01 -6.849685909e-01 1.84 -8.084001102e-01 -2.851761556e-01 -7.442857067e-01 -8.083849594e-01 -8.083698085e-01 -5.250198423e-01 -6.005554926e-01 -7.616031821e-01 -4.358156993e-01 -6.584901037e-01 1.86 -7.832430200e-01 -2.383571271e-01 -7.170025763e-01 -7.832286447e-01 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