# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Tirumala-A-S-Shattock-O-Mason-D-R-et-al--W-H-He # implementation = 2026--Tirumala-A-S--W-H-He--LAMMPS--ipr1 # composition = He # 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 2026-06-16 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 nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan 5.100461025e+01 nan 0.66 nan nan nan nan nan nan nan nan 4.525120074e+01 nan 0.68 nan nan nan nan nan nan nan nan 4.023618230e+01 nan 0.70 nan nan nan nan nan 3.107581649e+01 nan nan 3.584689735e+01 nan 0.72 nan nan nan nan nan 2.772006013e+01 nan nan 3.199201201e+01 nan 0.74 nan nan nan nan nan 2.477117054e+01 nan nan 2.859634855e+01 nan 0.76 nan nan nan nan nan 2.217562783e+01 nan nan 2.559691679e+01 nan 0.78 nan nan nan nan nan 1.988752454e+01 nan nan 2.294226126e+01 nan 0.80 nan 2.969825403e+01 nan 4.724400184e+01 4.723934989e+01 1.786722664e+01 nan nan 2.058885315e+01 3.037880246e+01 0.82 nan 2.680164190e+01 nan 4.282606364e+01 4.282378447e+01 1.608024077e+01 2.770601730e+01 nan 1.849918296e+01 2.742128209e+01 0.84 nan 2.422093197e+01 nan 3.888054523e+01 3.888138977e+01 1.449646533e+01 2.503873300e+01 nan 1.664073150e+01 2.477978566e+01 0.86 nan 2.191534891e+01 nan 3.534952254e+01 3.535264827e+01 1.308883463e+01 2.264965587e+01 nan 1.498528025e+01 2.241698719e+01 0.88 nan 1.984878679e+01 nan 3.218315877e+01 3.218698109e+01 1.183467033e+01 2.050644981e+01 nan 1.350862754e+01 2.030019199e+01 0.90 2.933523370e+01 1.799041205e+01 2.608936105e+01 2.933828282e+01 2.934166657e+01 1.071589107e+01 1.858130273e+01 2.704226266e+01 1.218980061e+01 1.840097164e+01 0.92 2.677421178e+01 1.631502121e+01 2.377556839e+01 2.677623619e+01 2.677855488e+01 9.716670498e+00 1.684994014e+01 2.465916886e+01 1.101029328e+01 1.669447447e+01 0.94 2.446112835e+01 1.480165731e+01 2.168670415e+01 2.446225630e+01 2.446346299e+01 8.822943725e+00 1.529109078e+01 2.250502942e+01 9.954088592e+00 1.515856651e+01 0.96 2.236490382e+01 1.343244135e+01 1.979718746e+01 2.236559347e+01 2.236614106e+01 8.021951538e+00 1.388600228e+01 2.055315774e+01 9.007205715e+00 1.377387053e+01 0.98 2.046164084e+01 1.219208283e+01 1.808436729e+01 2.046218185e+01 2.046248783e+01 7.302073893e+00 1.261819006e+01 1.878203105e+01 8.157135784e+00 1.252440985e+01 1.00 1.873132205e+01 1.106737912e+01 1.652803868e+01 1.873179287e+01 1.873209631e+01 6.652685688e+00 1.147303658e+01 1.717279698e+01 7.392589711e+00 1.139619840e+01 1.02 1.715627468e+01 1.004679298e+01 1.511052305e+01 1.715669550e+01 1.715707698e+01 6.064495109e+00 1.043759681e+01 1.570884039e+01 6.703484885e+00 1.037675804e+01 1.04 1.572087672e+01 9.120109776e+00 1.381780839e+01 1.572129687e+01 1.572178184e+01 5.530783901e+00 9.500598650e+00 1.437547779e+01 6.081558724e+00 9.454899191e+00 1.06 1.441128211e+01 8.278334111e+00 1.263772607e+01 1.441174263e+01 1.441232640e+01 5.045932628e+00 8.651878581e+00 1.315966073e+01 5.519599145e+00 8.620653641e+00 1.08 1.321517956e+01 7.513504212e+00 1.155949374e+01 1.321570648e+01 1.321636152e+01 4.604989964e+00 7.882242669e+00 1.204974351e+01 5.011093466e+00 7.864999500e+00 1.10 1.212151228e+01 6.818562680e+00 1.057364352e+01 1.212213650e+01 1.212281660e+01 4.203623157e+00 7.183313825e+00 1.103532966e+01 4.550097983e+00 7.179624906e+00 1.12 1.112048181e+01 6.187240154e+00 9.671894992e+00 1.112116133e+01 1.112180258e+01 3.838067478e+00 6.547393424e+00 1.010734462e+01 4.131637848e+00 6.556955665e+00 1.14 1.020326849e+01 5.613841684e+00 8.846814114e+00 1.020389222e+01 1.020443383e+01 3.504950271e+00 5.967822144e+00 9.257710799e+00 3.751691605e+00 5.990014365e+00 1.16 9.361791872e+00 5.093200000e+00 8.091688692e+00 9.362278208e+00 9.362677229e+00 3.201167392e+00 5.439328718e+00 8.479067705e+00 3.406675086e+00 5.472318384e+00 1.18 8.589042499e+00 4.620677326e+00 7.400566140e+00 8.589336506e+00 8.589561672e+00 2.923970333e+00 4.957312171e+00 7.764936770e+00 3.093378862e+00 4.998547817e+00 1.20 7.879135327e+00 4.192011364e+00 6.768098715e+00 7.879187202e+00 7.879223790e+00 2.670942319e+00 4.517647252e+00 7.109724709e+00 2.808894170e+00 4.564798965e+00 1.22 7.226709353e+00 3.803280208e+00 6.189351290e+00 7.226528513e+00 7.226399500e+00 2.439892863e+00 4.116615606e+00 6.508394724e+00 2.550581052e+00 4.167583642e+00 1.24 6.626895285e+00 3.450948903e+00 5.659814926e+00 6.626569403e+00 6.626342992e+00 2.228851199e+00 3.750801555e+00 5.956432859e+00 2.316050304e+00 3.803776252e+00 1.26 6.075391323e+00 3.131767429e+00 5.175351348e+00 6.075028636e+00 6.074781673e+00 2.036037258e+00 3.417038441e+00 5.449836744e+00 2.103104418e+00 3.470577284e+00 1.28 5.568347406e+00 2.842669156e+00 4.732187576e+00 5.568046173e+00 5.567847642e+00 1.859849621e+00 3.112397508e+00 4.984989980e+00 1.909726984e+00 3.165484812e+00 1.30 5.102239382e+00 2.580785042e+00 4.326868187e+00 5.102101060e+00 5.102015732e+00 1.698845216e+00 2.834184559e+00 4.558607890e+00 1.734067086e+00 2.886262957e+00 1.32 4.673890008e+00 2.343429533e+00 3.956201323e+00 4.673993170e+00 4.674069759e+00 1.551728227e+00 2.579962619e+00 4.167722151e+00 1.574399946e+00 2.630875266e+00 1.34 4.280446838e+00 2.128076718e+00 3.617269108e+00 4.280821806e+00 4.281084178e+00 1.417346722e+00 2.347726223e+00 3.809639110e+00 1.429115789e+00 2.397399378e+00 1.36 3.919360492e+00 1.932550281e+00 3.307360680e+00 3.919951926e+00 3.920390493e+00 1.294642847e+00 2.135748406e+00 3.481887806e+00 1.296901694e+00 2.184108981e+00 1.38 3.588240638e+00 1.755039713e+00 3.023943127e+00 3.588953751e+00 3.589529462e+00 1.182635857e+00 1.942446706e+00 3.182149731e+00 1.176653860e+00 1.989411827e+00 1.40 3.284844408e+00 1.593852047e+00 2.764663082e+00 3.285592174e+00 3.286251176e+00 1.080434142e+00 1.766356274e+00 2.908266670e+00 1.067356092e+00 1.811827673e+00 1.42 3.007094622e+00 1.447396746e+00 2.527329643e+00 3.007799809e+00 3.008482237e+00 9.872304466e-01 1.606116976e+00 2.658228369e+00 9.680839629e-01 1.649986506e+00 1.44 2.753024950e+00 1.314171258e+00 2.310068780e+00 2.753640721e+00 2.754295022e+00 9.022972978e-01 1.460437602e+00 2.430146420e+00 8.779943946e-01 1.502602961e+00 1.46 2.520782563e+00 1.192751788e+00 2.111317641e+00 2.521283327e+00 2.521868066e+00 8.249451341e-01 1.328085866e+00 2.222233040e+00 7.962973620e-01 1.368473589e+00 1.48 2.308650700e+00 1.081866362e+00 1.929624139e+00 2.309018204e+00 2.309498386e+00 7.545316449e-01 1.207892502e+00 2.032799815e+00 7.222570182e-01 1.246500909e+00 1.50 2.115009650e+00 9.805899360e-01 1.763633862e+00 2.115238376e+00 2.115586626e+00 6.904625740e-01 1.098752234e+00 1.860241248e+00 6.552041813e-01 1.135659443e+00 1.52 1.938320919e+00 8.881184173e-01 1.612063887e+00 1.938422550e+00 1.938622876e+00 6.321727727e-01 9.996288941e-01 1.703025593e+00 5.945218968e-01 1.034985691e+00 1.54 1.777126373e+00 8.037168008e-01 1.473694126e+00 1.777119422e+00 1.777170021e+00 5.791240485e-01 9.095378039e-01 1.559682760e+00 5.396267753e-01 9.435813679e-01 1.56 1.630023641e+00 7.267133025e-01 1.347363683e+00 1.629929141e+00 1.629845449e+00 5.308072037e-01 8.275671647e-01 1.428778756e+00 4.899656205e-01 8.605934392e-01 1.58 1.495640388e+00 6.564936466e-01 1.231961714e+00 1.495489938e+00 1.495304710e+00 4.867383127e-01 7.529443067e-01 1.308901833e+00 4.450116598e-01 7.851919684e-01 1.60 1.372643866e+00 5.924859434e-01 1.126419505e+00 1.372466923e+00 1.372218101e+00 4.464553310e-01 6.849502422e-01 1.198740403e+00 4.042650322e-01 7.165834035e-01 1.62 1.259735643e+00 5.341421197e-01 1.029703845e+00 1.259552041e+00 1.259277230e+00 4.095155826e-01 6.228957282e-01 1.097333796e+00 3.672507201e-01 6.540080656e-01 1.64 1.155652513e+00 4.809438073e-01 9.408123794e-01 1.155472994e+00 1.155207262e+00 3.754920229e-01 5.661323622e-01 1.003851559e+00 3.335187124e-01 5.967354169e-01 1.66 1.059458350e+00 4.324434183e-01 8.589605020e-01 1.059295494e+00 1.059070305e+00 3.440631351e-01 5.141445854e-01 9.176023756e-01 3.027142024e-01 5.442003027e-01 1.68 9.705530610e-01 3.882621021e-01 7.835904342e-01 9.704227606e-01 9.702624859e-01 3.150199751e-01 4.665470938e-01 8.380396785e-01 2.745768678e-01 4.960139185e-01 1.70 8.883978850e-01 3.480530107e-01 7.141886407e-01 8.883164894e-01 8.882344030e-01 2.881758090e-01 4.229879995e-01 7.646675216e-01 2.488718647e-01 4.518273564e-01 1.72 8.125003978e-01 3.114970682e-01 6.502948847e-01 8.124774756e-01 8.124765397e-01 2.633708366e-01 3.831454317e-01 6.970333204e-01 2.253838451e-01 4.113235713e-01 1.74 7.424088138e-01 2.782964122e-01 5.914963084e-01 7.424480935e-01 7.425244848e-01 2.404643924e-01 3.467173325e-01 6.347229396e-01 2.039177759e-01 3.742100347e-01 1.76 6.777057258e-01 2.481757425e-01 5.374011014e-01 6.778072067e-01 6.779525573e-01 2.193156333e-01 3.134247671e-01 5.773561100e-01 1.842984677e-01 3.402103035e-01 1.78 6.180081116e-01 2.208891156e-01 4.876484491e-01 6.181685397e-01 6.183705926e-01 1.997946789e-01 2.830128255e-01 5.245839302e-01 1.663688991e-01 3.090681196e-01 1.80 5.629657679e-01 1.962086002e-01 4.419086816e-01 5.631787805e-01 5.634218897e-01 1.817832525e-01 2.552481341e-01 4.760762363e-01 1.499892350e-01 2.805465312e-01 1.82 5.122586534e-01 1.739200084e-01 3.998812454e-01 5.125120343e-01 5.127777570e-01 1.651735973e-01 2.299145459e-01 4.315243542e-01 1.350335775e-01 2.544260880e-01 1.84 4.655950293e-01 1.538185869e-01 3.612931966e-01 4.658665089e-01 4.661343283e-01 1.498672057e-01 2.068136086e-01 3.906363144e-01 1.213875238e-01 2.305031153e-01 1.86 4.226908509e-01 1.357115941e-01 3.258978893e-01 4.229535062e-01 4.232039787e-01 1.357739818e-01 1.857636013e-01 3.531275207e-01 1.089422004e-01 2.085885095e-01 1.88 3.832528233e-01 1.194202468e-01 2.934740282e-01 3.834867596e-01 3.837067297e-01 1.228113874e-01 1.665986004e-01 3.187344431e-01 9.759848095e-02 1.885068680e-01 1.90 3.470131853e-01 1.047799361e-01 2.638197795e-01 3.472063226e-01 3.473885346e-01 1.109035773e-01 1.491669515e-01 2.872192978e-01 8.726557836e-02 1.701007547e-01 1.92 3.137316652e-01 9.163956396e-02 2.367395000e-01 3.138766857e-01 3.140159230e-01 9.998081683e-02 1.333281849e-01 2.583632935e-01 7.785807742e-02 1.532304100e-01 1.94 2.831864698e-01 7.986006247e-02 2.120506421e-01 2.832808041e-01 2.833732917e-01 8.997821581e-02 1.189508067e-01 2.319655258e-01 6.929787838e-02 1.377706832e-01 1.96 2.551731776e-01 6.931360600e-02 1.895740426e-01 2.552169469e-01 2.552604673e-01 8.082948864e-02 1.059091423e-01 2.078406955e-01 6.151382351e-02 1.236105929e-01 1.98 2.295034444e-01 5.988315791e-02 1.691329085e-01 2.294974888e-01 2.294915333e-01 7.246635437e-02 9.408549379e-02 1.858143992e-01 5.444119317e-02 1.106527598e-01 2.00 2.060033949e-01 5.146183211e-02 1.505606491e-01 2.059494725e-01 2.058955500e-01 6.482338456e-02 8.337173243e-02 1.657245477e-01 4.802129651e-02 9.881016683e-02 2.02 1.845088971e-01 4.395259927e-02 1.337070168e-01 1.844113993e-01 1.843139016e-01 5.784460768e-02 7.367001822e-02 1.474218122e-01 4.220178148e-02 8.799441763e-02 2.04 1.648671090e-01 3.726777024e-02 1.184340827e-01 1.647340384e-01 1.646009677e-01 5.147996204e-02 6.489077531e-02 1.307689130e-01 3.693487777e-02 7.812231428e-02 2.06 1.469369937e-01 3.132889192e-02 1.046141098e-01 1.467794378e-01 1.466218818e-01 4.568354377e-02 5.695225138e-02 1.156400090e-01 3.217542029e-02 6.911849546e-02 2.08 1.305883196e-01 2.606609833e-02 9.212876070e-02 1.304177168e-01 1.302471140e-01 4.041331123e-02 4.978009931e-02 1.019185448e-01 2.788255050e-02 6.091480660e-02 2.10 1.157015069e-01 2.141592956e-02 8.086865707e-02 1.155286828e-01 1.153558587e-01 3.563094093e-02 4.330704779e-02 8.949414062e-02 2.401824697e-02 5.345008330e-02 2.12 1.021670097e-01 1.732086410e-02 7.073227432e-02 1.020016695e-01 1.018363293e-01 3.130099624e-02 3.747255243e-02 7.826462118e-02 2.054536464e-02 4.666978709e-02 2.14 8.988480732e-02 1.372860957e-02 6.162309269e-02 8.973495742e-02 8.958510751e-02 2.738844423e-02 3.222011639e-02 6.813601149e-02 1.742913299e-02 4.052559645e-02 2.16 7.876421979e-02 1.058819498e-02 5.345055516e-02 7.863547520e-02 7.850673062e-02 2.385987955e-02 2.749608610e-02 5.902222441e-02 1.463710496e-02 3.497530420e-02 2.18 6.872324137e-02 7.852941811e-03 4.613052336e-02 6.861820897e-02 6.851317657e-02 2.068412213e-02 2.325168193e-02 5.084350690e-02 1.213888173e-02 2.998210728e-02 2.20 5.968066347e-02 5.479260104e-03 3.958471560e-02 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