# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Kim-K-H-Jeon-J-B-Lee-B-J--Mg-Sn # implementation = 2015--Kim-K-H--Mg-Sn--LAMMPS--ipr1 # composition = MgSn3 # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 5.318341167e+02 nan nan 1.06 5.032362194e+02 nan nan 1.08 4.760961587e+02 nan nan 1.10 4.503421040e+02 nan nan 1.12 4.259056784e+02 5.068819083e+02 nan 1.14 4.027217957e+02 4.814875778e+02 nan 1.16 3.807285051e+02 4.572922888e+02 5.285103273e+02 1.18 3.598668431e+02 4.342415474e+02 5.033171782e+02 1.20 3.400806925e+02 4.122832699e+02 4.792515338e+02 1.22 3.213166477e+02 3.913676786e+02 4.562650311e+02 1.24 3.035238861e+02 3.714472017e+02 4.343113176e+02 1.26 2.866540460e+02 3.524763775e+02 4.133459698e+02 1.28 2.706611097e+02 3.344117632e+02 3.933264147e+02 1.30 2.555012923e+02 3.172118468e+02 3.742118550e+02 1.32 2.411329356e+02 3.008369633e+02 3.559631966e+02 1.34 2.275164070e+02 2.852492144e+02 3.385429797e+02 1.36 2.146140032e+02 2.704123914e+02 3.219153116e+02 1.38 2.023898580e+02 2.562919016e+02 3.060458037e+02 1.40 1.908098550e+02 2.428546977e+02 2.909015093e+02 1.42 1.798415439e+02 2.300692107e+02 2.764508651e+02 1.44 1.694540611e+02 2.179052848e+02 2.626636346e+02 1.46 1.596180538e+02 2.063341158e+02 2.495108541e+02 1.48 1.503056076e+02 1.953281921e+02 2.369647799e+02 1.50 1.414901776e+02 1.848612378e+02 2.249988389e+02 1.52 1.331465228e+02 1.749081586e+02 2.135875803e+02 1.54 1.252506437e+02 1.654449899e+02 2.027066293e+02 1.56 1.177797224e+02 1.564488474e+02 1.923326435e+02 1.58 1.107120658e+02 1.478978792e+02 1.824432697e+02 1.60 1.040270517e+02 1.397712209e+02 1.730171034e+02 1.62 9.770507700e+01 1.320489513e+02 1.640336500e+02 1.64 9.172750873e+01 1.247120518e+02 1.554732866e+02 1.66 8.607663703e+01 1.177423658e+02 1.473172266e+02 1.68 8.073563067e+01 1.111225609e+02 1.395474847e+02 1.70 7.568849457e+01 1.048360926e+02 1.321468438e+02 1.72 7.092002923e+01 9.886716911e+01 1.250988235e+02 1.74 6.641579228e+01 9.320071837e+01 1.183876489e+02 1.76 6.216206167e+01 8.782235587e+01 1.119982218e+02 1.78 5.814580071e+01 8.271835423e+01 1.059160923e+02 1.80 5.435462479e+01 7.787561404e+01 1.001274321e+02 1.82 5.077676957e+01 7.328163588e+01 9.461900828e+01 1.84 4.740106084e+01 6.892449367e+01 8.937815857e+01 1.86 4.421688568e+01 6.479280908e+01 8.439276761e+01 1.88 4.121416508e+01 6.087572712e+01 7.965124399e+01 1.90 3.838332786e+01 5.716289279e+01 7.514249837e+01 1.92 3.571528578e+01 5.364442870e+01 7.085592242e+01 1.94 3.320140989e+01 5.031091376e+01 6.678136865e+01 1.96 3.083350806e+01 4.715336269e+01 6.290913106e+01 1.98 2.860380343e+01 4.416320650e+01 5.922992658e+01 2.00 2.650491409e+01 4.133227383e+01 5.573487728e+01 2.02 2.452983360e+01 3.865277306e+01 5.241549327e+01 2.04 2.267191248e+01 3.611727525e+01 4.926365637e+01 2.06 2.092484062e+01 3.371869780e+01 4.627160437e+01 2.08 1.928263051e+01 3.145028882e+01 4.343191600e+01 2.10 1.773960127e+01 2.930561225e+01 4.073749651e+01 2.12 1.629036349e+01 2.727853355e+01 3.818156380e+01 2.14 1.492980478e+01 2.536320611e+01 3.575763515e+01 2.16 1.365307599e+01 2.355405814e+01 3.345951455e+01 2.18 1.245557813e+01 2.184578029e+01 3.128128041e+01 2.20 1.133294997e+01 2.023331367e+01 2.921727398e+01 2.22 1.028105610e+01 1.871183851e+01 2.726208806e+01 2.24 9.295975740e+00 1.727676327e+01 2.541055626e+01 2.26 8.373991980e+00 1.592371423e+01 2.365774276e+01 2.28 7.511581574e+00 1.464852557e+01 2.199893238e+01 2.30 6.705405243e+00 1.344722986e+01 2.042962114e+01 2.32 5.952298445e+00 1.231604898e+01 1.894550721e+01 2.34 5.249262585e+00 1.125138549e+01 1.754248217e+01 2.36 4.593456671e+00 1.024981430e+01 1.621662275e+01 2.38 3.982189365e+00 9.308074767e+00 1.496418280e+01 2.40 3.412911428e+00 8.423063152e+00 1.378158564e+01 2.42 2.883208545e+00 7.591825378e+00 1.266541678e+01 2.44 2.390794477e+00 6.811550129e+00 1.161241686e+01 2.46 1.933504584e+00 6.079562267e+00 1.061947492e+01 2.48 1.509289635e+00 5.393316525e+00 9.683621991e+00 2.50 1.116209941e+00 4.750391497e+00 8.802024878e+00 2.52 7.524297785e-01 4.148483893e+00 7.971980283e+00 2.54 4.162120723e-01 3.585403048e+00 7.190909120e+00 2.56 1.059133605e-01 3.059065688e+00 6.456351093e+00 2.58 -1.800210030e-01 2.567490921e+00 5.765959500e+00 2.60 -4.430614072e-01 2.108795458e+00 5.117496253e+00 2.62 -6.845983096e-01 1.681189053e+00 4.508827112e+00 2.64 -9.059463563e-01 1.282970145e+00 3.937917119e+00 2.66 -1.108348289e+00 9.125216969e-01 3.402826226e+00 2.68 -1.292978663e+00 5.683072244e-01 2.901705110e+00 2.70 -1.460947376e+00 2.488670052e-01 2.432791160e+00 2.72 -1.613303021e+00 -4.718554073e-02 1.994404643e+00 2.74 -1.751036076e+00 -3.211673067e-01 1.584945028e+00 2.76 -1.875081928e+00 -5.743287965e-01 1.202887469e+00 2.78 -1.986323745e+00 -8.078572725e-01 8.467794354e-01 2.80 -2.085595213e+00 -1.022879759e+00 5.152374890e-01 2.82 -2.173683122e+00 -1.220465910e+00 2.069441992e-01 2.84 -2.251329832e+00 -1.401630745e+00 -7.935481129e-02 2.86 -2.319235611e+00 -1.567337258e+00 -3.448536930e-01 2.88 -2.378060853e+00 -1.718498910e+00 -5.906890747e-01 2.90 -2.428428188e+00 -1.855982007e+00 -8.179426526e-01 2.92 -2.470924479e+00 -1.980607961e+00 -1.027643667e+00 2.94 -2.506102725e+00 -2.093155463e+00 -1.220771273e+00 2.96 -2.534483878e+00 -2.194362536e+00 -1.398256808e+00 2.98 -2.556559564e+00 -2.284928511e+00 -1.560985961e+00 3.00 -2.572792783e+00 -2.365515899e+00 -1.709800852e+00 3.02 -2.583612598e+00 -2.436752184e+00 -1.845502010e+00 3.04 -2.589431352e+00 -2.499231528e+00 -1.968850279e+00 3.06 -2.590633647e+00 -2.553516401e+00 -2.080568635e+00 3.08 -2.587581061e+00 -2.600139133e+00 -2.181343916e+00 3.10 -2.580613394e+00 -2.639603392e+00 -2.271828492e+00 3.12 -2.570049857e+00 -2.672385598e+00 -2.352641850e+00 3.14 -2.556190189e+00 -2.698936264e+00 -2.424372113e+00 3.16 -2.539315726e+00 -2.719681282e+00 -2.487577494e+00 3.18 -2.519690408e+00 -2.735023143e+00 -2.542787683e+00 3.20 -2.497561735e+00 -2.745342101e+00 -2.590505180e+00 3.22 -2.473161678e+00 -2.750997286e+00 -2.631206557e+00 3.24 -2.446707535e+00 -2.752327756e+00 -2.665343677e+00 3.26 -2.418402748e+00 -2.749653510e+00 -2.693344849e+00 3.28 -2.388437677e+00 -2.743276445e+00 -2.715615942e+00 3.30 -2.356990330e+00 -2.733481272e+00 -2.732541437e+00 3.32 -2.324227056e+00 -2.720536385e+00 -2.744485446e+00 3.34 -2.290303203e+00 -2.704694694e+00 -2.751792674e+00 3.36 -2.255363743e+00 -2.686194412e+00 -2.754789346e+00 3.38 -2.219543857e+00 -2.665259809e+00 -2.753784086e+00 3.40 -2.182969496e+00 -2.642101928e+00 -2.749068764e+00 3.42 -2.145766177e+00 -2.616919267e+00 -2.740919300e+00 3.44 -2.108299373e+00 -2.589898428e+00 -2.729596429e+00 3.46 -2.071029162e+00 -2.561214737e+00 -2.715346443e+00 3.48 -2.032577509e+00 -2.531032830e+00 -2.698401887e+00 3.50 -1.993798783e+00 -2.499507215e+00 -2.678982230e+00 3.52 -1.954855732e+00 -2.466782801e+00 -2.657294502e+00 3.54 -1.915823022e+00 -2.432995408e+00 -2.633533912e+00 3.56 -1.876769605e+00 -2.398272251e+00 -2.607884419e+00 3.58 -1.837759061e+00 -2.362732392e+00 -2.580519299e+00 3.60 -1.798849920e+00 -2.326487184e+00 -2.551601668e+00 3.62 -1.760095966e+00 -2.289640933e+00 -2.521284993e+00 3.64 -1.721546527e+00 -2.252343938e+00 -2.489713572e+00 3.66 -1.683246744e+00 -2.214932394e+00 -2.457022998e+00 3.68 -1.645237827e+00 -2.177123448e+00 -2.423340596e+00 3.70 -1.607557305e+00 -2.138762341e+00 -2.388785843e+00 3.72 -1.570239247e+00 -2.100224148e+00 -2.353470769e+00 3.74 -1.533314485e+00 -2.061576766e+00 -2.317500339e+00 3.76 -1.496810816e+00 -2.022883176e+00 -2.280972815e+00 3.78 -1.460753198e+00 -1.984201722e+00 -2.243980102e+00 3.80 -1.425163930e+00 -1.945586370e+00 -2.206608083e+00 3.82 -1.390062827e+00 -1.907086958e+00 -2.168936927e+00 3.84 -1.355467380e+00 -1.868749431e+00 -2.131041398e+00 3.86 -1.321392914e+00 -1.830616069e+00 -2.092991132e+00 3.88 -1.287852728e+00 -1.792725696e+00 -2.054850918e+00 3.90 -1.254858235e+00 -1.755113884e+00 -2.016680950e+00 3.92 -1.222419093e+00 -1.717813143e+00 -1.978537082e+00 3.94 -1.190543319e+00 -1.680853105e+00 -1.940471057e+00 3.96 -1.159237413e+00 -1.644260696e+00 -1.902530735e+00 3.98 -1.128506459e+00 -1.608060295e+00 -1.864760304e+00 4.00 -1.098354232e+00 -1.572273898e+00 -1.827200487e+00 4.02 -1.068783289e+00 -1.536921255e+00 -1.789888733e+00 4.04 -1.039795062e+00 -1.502020014e+00 -1.752859400e+00 4.06 -1.011389945e+00 -1.467585855e+00 -1.716143932e+00 4.08 -9.835673689e-01 -1.433632608e+00 -1.679771026e+00 4.10 -9.563258814e-01 -1.400172378e+00 -1.643766788e+00 4.12 -9.296632151e-01 -1.367215651e+00 -1.608154888e+00 4.14 -9.035763550e-01 -1.334771405e+00 -1.572956697e+00 4.16 -8.780616010e-01 -1.302847206e+00 -1.538191430e+00 4.18 -8.531146263e-01 -1.271449306e+00 -1.503877192e+00 4.20 -8.287305328e-01 -1.240582728e+00 -1.470156704e+00 4.22 -8.049039026e-01 -1.210251355e+00 -1.437640325e+00 4.24 -7.816288470e-01 -1.180458008e+00 -1.406227096e+00 4.26 -7.588990514e-01 -1.151204521e+00 -1.373833187e+00 4.28 -7.367078187e-01 -1.122491815e+00 -1.341900374e+00 4.30 -7.150481084e-01 -1.094319959e+00 -1.310485442e+00 4.32 -6.939125748e-01 -1.066688242e+00 -1.279594479e+00 4.34 -6.732936018e-01 -1.039595226e+00 -1.249232369e+00 4.36 -6.531833355e-01 -1.013038806e+00 -1.219402871e+00 4.38 -6.335737150e-01 -9.870162614e-01 -1.190108697e+00 4.40 -6.144565008e-01 -9.615243076e-01 -1.161351583e+00 4.42 -5.958233018e-01 -9.365591426e-01 -1.133132361e+00 4.44 -5.776656002e-01 -9.121164913e-01 -1.105451019e+00 4.46 -5.599747745e-01 -8.881916474e-01 -1.078306769e+00 4.48 -5.427421214e-01 -8.647795128e-01 -1.051698098e+00 4.50 -5.259588756e-01 -8.418746347e-01 -1.025622830e+00 4.52 -5.096162289e-01 -8.194712397e-01 -1.000078172e+00 4.54 -4.937053474e-01 -7.975632673e-01 -9.750607693e-01 4.56 -4.782173878e-01 -7.761443998e-01 -9.505667459e-01 4.58 -4.631435118e-01 -7.552080910e-01 -9.265917527e-01 4.60 -4.484749008e-01 -7.347475933e-01 -9.031310070e-01 4.62 -4.342027679e-01 -7.147559827e-01 -8.801793317e-01 4.64 -4.203183700e-01 -6.952261822e-01 -8.577311922e-01 4.66 -4.068130187e-01 -6.761509841e-01 -8.357807309e-01 4.68 -3.936780899e-01 -6.575230699e-01 -8.143217998e-01 4.70 -3.809050336e-01 -6.393350302e-01 -7.933479909e-01 4.72 -3.684853814e-01 -6.215793817e-01 -7.728526652e-01 4.74 -3.564107547e-01 -6.042485846e-01 -7.528289795e-01 4.76 -3.446728713e-01 -5.873350574e-01 -7.332699117e-01 4.78 -3.332635518e-01 -5.708311915e-01 -7.141682849e-01 4.80 -3.221747252e-01 -5.547293647e-01 -6.955167891e-01 4.82 -3.113983286e-01 -5.390219529e-01 -6.773080023e-01 4.84 -3.003978883e-01 -5.237013423e-01 -6.595344101e-01 4.86 -2.845394236e-01 -5.087599391e-01 -6.421884236e-01 4.88 -2.568391468e-01 -4.941901798e-01 -6.252623963e-01 4.90 -2.307412699e-01 -4.799845399e-01 -6.087486403e-01 4.92 -2.226332678e-01 -4.661355418e-01 -5.926394406e-01 4.94 -2.147591342e-01 -4.526357630e-01 -5.769270689e-01 4.96 -2.071125946e-01 -4.394778422e-01 -5.616037963e-01 4.98 -1.996874945e-01 -4.266544858e-01 -5.466619050e-01 5.00 -1.924778010e-01 -4.141584737e-01 -5.320936993e-01 5.02 -1.854776044e-01 -4.019826643e-01 -5.178915156e-01 5.04 -1.786811192e-01 -3.901199990e-01 -5.040477316e-01 5.06 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-3.078823457e-01 5.42 -1.118422423e-01 -2.160996216e-01 -2.995014532e-01 5.44 -1.086383261e-01 -2.093977678e-01 -2.913441077e-01 5.46 -1.055211205e-01 -2.028700521e-01 -2.834046890e-01 5.48 -1.024884995e-01 -1.965121690e-01 -2.756776924e-01 5.50 -9.953837911e-02 -1.903199022e-01 -2.681577288e-01 5.52 -9.666871688e-02 -1.842891237e-01 -2.608395242e-01 5.54 -9.387751178e-02 -1.784157938e-01 -2.537179192e-01 5.56 -9.116280369e-02 -1.726959596e-01 -2.467878685e-01 5.58 -8.852267301e-02 -1.671257545e-01 -2.400444399e-01 5.60 -8.595524031e-02 -1.617013972e-01 -2.334828133e-01 5.62 -8.345866580e-02 -1.564191908e-01 -2.270982799e-01 5.64 -8.103114895e-02 -1.512755217e-01 -2.208862413e-01 5.66 -7.867092797e-02 -1.462668588e-01 -2.148422075e-01 5.68 -7.637627933e-02 -1.413897520e-01 -2.089617965e-01 5.70 -7.414551725e-02 -1.366408316e-01 -2.032407322e-01 5.72 -7.197699320e-02 -1.320168068e-01 -1.976748435e-01 5.74 -6.986909535e-02 -1.275144646e-01 -1.922600621e-01 5.76 -6.782024807e-02 -1.231306686e-01 -1.869924218e-01 5.78 -6.582891133e-02 -1.188623579e-01 -1.818680560e-01 5.80 -6.389358020e-02 -1.147065456e-01 -1.768831966e-01 5.82 -6.201278427e-02 -1.106603177e-01 -1.720341718e-01 5.84 -6.018508709e-02 -1.067208321e-01 -1.673174048e-01 5.86 -5.840908560e-02 -1.028853166e-01 -1.627294116e-01 5.88 -5.668340961e-02 -9.915106802e-02 -1.582667993e-01 5.90 -5.500672115e-02 -9.551545104e-02 -1.539262642e-01 5.92 -5.323510026e-02 -9.185085590e-02 -1.495266644e-01 5.94 -4.959467202e-02 -8.660387914e-02 -1.427920636e-01 5.96 -3.979508910e-02 -7.516667325e-02 -1.263607890e-01 5.98 -1.989611316e-02 -4.671343650e-02 -8.071768500e-02 6.00 -1.452985620e-23 -1.258357800e-22 -9.030230400e-23