# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Starikov-S-Grigorev-P-Olsson-P-A-T--W-Mo-Nb # implementation = 2024--Starikov-S--W-Mo-Nb--LAMMPS--ipr1 # composition = W # 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 2024-01-04 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 nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan 1.408918044e+02 nan 0.80 nan nan nan nan nan nan nan nan 1.312021213e+02 nan 0.82 nan nan nan nan nan nan nan nan 1.223557139e+02 nan 0.84 nan nan nan nan nan 9.931657131e+01 nan nan 1.138124530e+02 nan 0.86 nan nan nan nan nan 9.412145670e+01 nan nan 1.073899331e+02 nan 0.88 nan nan nan nan nan 8.893978581e+01 nan nan 1.004132098e+02 nan 0.90 nan nan nan nan nan 8.409563582e+01 nan nan 9.386965503e+01 nan 0.92 nan nan nan nan nan 7.985299308e+01 nan nan 8.776277602e+01 nan 0.94 nan nan nan 1.509429666e+02 1.506245938e+02 7.549046727e+01 nan nan 8.234456213e+01 1.086568603e+02 0.96 nan 1.032096004e+02 nan 1.424052562e+02 1.420757275e+02 7.108904174e+01 1.060691335e+02 nan 7.782397307e+01 1.018700843e+02 0.98 nan 9.700024514e+01 nan 1.341656432e+02 1.342120126e+02 6.728697745e+01 9.887396828e+01 nan 7.403041299e+01 9.541162252e+01 1.00 nan 9.182658877e+01 nan 1.265472745e+02 1.271759636e+02 6.388300252e+01 9.279527485e+01 nan 7.097274727e+01 8.985411605e+01 1.02 nan 8.773504859e+01 nan 1.200179053e+02 1.204837467e+02 6.081657964e+01 8.682657808e+01 nan 6.790277703e+01 8.525944257e+01 1.04 nan 8.346837525e+01 nan 1.141041663e+02 1.145139894e+02 5.801916576e+01 8.180403665e+01 nan 6.500998244e+01 8.123743744e+01 1.06 nan 7.925476248e+01 nan 1.085227357e+02 1.088437149e+02 5.534957133e+01 7.803261726e+01 1.029218375e+02 6.242889637e+01 7.784803431e+01 1.08 1.033150647e+02 7.525254501e+01 9.554841331e+01 1.033612104e+02 1.036546370e+02 5.293469959e+01 7.376014029e+01 9.863062233e+01 6.009881818e+01 7.466219237e+01 1.10 9.835906921e+01 7.155782012e+01 9.107558571e+01 9.824051173e+01 9.830170531e+01 5.078162204e+01 7.089319671e+01 9.498951365e+01 5.823135952e+01 7.133796750e+01 1.12 9.358449730e+01 6.801790156e+01 8.642415508e+01 9.333044101e+01 9.323083158e+01 4.872813744e+01 6.818581144e+01 8.864623351e+01 5.567649419e+01 6.840880429e+01 1.14 8.908373258e+01 6.477520208e+01 8.168408774e+01 8.893677778e+01 8.845832388e+01 4.658552479e+01 6.544313131e+01 8.483335297e+01 5.290132464e+01 6.583115257e+01 1.16 8.480459250e+01 6.140257837e+01 7.728616349e+01 8.451347085e+01 8.403301680e+01 4.447097410e+01 6.300423418e+01 8.139811522e+01 5.076202819e+01 6.323697715e+01 1.18 8.065271131e+01 5.827736885e+01 7.338102620e+01 8.067809075e+01 8.027850930e+01 4.262453026e+01 6.052600582e+01 7.641392014e+01 4.845109248e+01 6.082805923e+01 1.20 7.675469382e+01 5.567005597e+01 6.982857369e+01 7.708895594e+01 7.697598534e+01 4.089057906e+01 5.844541211e+01 7.267626496e+01 4.614551823e+01 5.855768248e+01 1.22 7.317414670e+01 5.350722851e+01 6.673610311e+01 7.356045465e+01 7.357803331e+01 3.927799637e+01 5.645160965e+01 6.904699668e+01 4.412567684e+01 5.631919959e+01 1.24 6.984642257e+01 5.159172746e+01 6.393573984e+01 7.008767591e+01 7.017971125e+01 3.780249704e+01 5.454583726e+01 6.591823731e+01 4.233069858e+01 5.416591876e+01 1.26 6.659004625e+01 4.985597044e+01 6.134432474e+01 6.665984271e+01 6.696667643e+01 3.637082558e+01 5.324436142e+01 6.337180664e+01 4.090295213e+01 5.205924215e+01 1.28 6.338345181e+01 4.812294120e+01 5.903253446e+01 6.361420345e+01 6.407796049e+01 3.495039007e+01 5.207166549e+01 6.121684291e+01 3.949352873e+01 4.985750831e+01 1.30 6.062857377e+01 4.655326099e+01 5.708396004e+01 6.115701884e+01 6.155251304e+01 3.368266963e+01 4.996901996e+01 5.797686079e+01 3.828701377e+01 4.785705964e+01 1.32 5.842374285e+01 4.528462189e+01 5.519702833e+01 5.871488370e+01 5.868584851e+01 3.252531946e+01 4.771054571e+01 5.591907120e+01 3.676095572e+01 4.614134918e+01 1.34 5.651368009e+01 4.409082591e+01 5.327778800e+01 5.647087791e+01 5.637376360e+01 3.133859045e+01 4.634381465e+01 5.468667471e+01 3.511033040e+01 4.454838954e+01 1.36 5.467827328e+01 4.294290827e+01 5.130874110e+01 5.466284355e+01 5.461787105e+01 3.002618725e+01 4.541092608e+01 5.384487931e+01 3.379339756e+01 4.289628348e+01 1.38 5.308090695e+01 4.201865246e+01 4.968442204e+01 5.323427206e+01 5.312870371e+01 2.889432063e+01 4.302212809e+01 5.180256059e+01 3.283143858e+01 4.128702470e+01 1.40 5.180841097e+01 4.106235272e+01 4.831450127e+01 5.199375294e+01 5.177688026e+01 2.792698967e+01 4.071913044e+01 5.007837568e+01 3.201753025e+01 3.976553301e+01 1.42 5.063613589e+01 3.992334638e+01 4.709681286e+01 5.078808005e+01 5.053504679e+01 2.705898331e+01 3.906253137e+01 4.877729945e+01 3.144314021e+01 3.828719096e+01 1.44 4.929281947e+01 3.874166897e+01 4.601164335e+01 4.922347717e+01 4.900930249e+01 2.620844603e+01 3.764323845e+01 4.744246188e+01 3.072385760e+01 3.687435281e+01 1.46 4.784779308e+01 3.763299866e+01 4.501463022e+01 4.786868313e+01 4.778319343e+01 2.539418203e+01 3.629377078e+01 4.609489593e+01 2.993592785e+01 3.560328678e+01 1.48 4.642399131e+01 3.659292551e+01 4.406565744e+01 4.684305682e+01 4.703911351e+01 2.465294281e+01 3.499287720e+01 4.452922227e+01 2.916232730e+01 3.447827215e+01 1.50 4.506221641e+01 3.546905912e+01 4.305671139e+01 4.559356897e+01 4.599479226e+01 2.395898648e+01 3.373260996e+01 4.296793925e+01 2.863198532e+01 3.352606116e+01 1.52 4.362391766e+01 3.428650204e+01 4.189440338e+01 4.412789803e+01 4.454449320e+01 2.326225468e+01 3.265927118e+01 4.179410937e+01 2.822155271e+01 3.268493410e+01 1.54 4.214579268e+01 3.315634547e+01 4.062700645e+01 4.243185222e+01 4.269958983e+01 2.259357893e+01 3.182914835e+01 4.027270063e+01 2.759071977e+01 3.193756529e+01 1.56 4.068215649e+01 3.218284523e+01 3.932374950e+01 4.102083545e+01 4.129135130e+01 2.198053383e+01 3.112697288e+01 3.892255255e+01 2.669784714e+01 3.116144078e+01 1.58 3.938902379e+01 3.139292722e+01 3.808611095e+01 3.988124835e+01 4.019743887e+01 2.146301987e+01 3.062092770e+01 3.802486022e+01 2.585819720e+01 3.037771972e+01 1.60 3.827134262e+01 3.073445256e+01 3.692797058e+01 3.866226932e+01 3.905622155e+01 2.102436366e+01 3.029174693e+01 3.685514266e+01 2.519566756e+01 2.976167338e+01 1.62 3.720467364e+01 3.019901710e+01 3.580217938e+01 3.748276211e+01 3.783335043e+01 2.063967034e+01 2.986846125e+01 3.588661131e+01 2.463906609e+01 2.927885317e+01 1.64 3.629315383e+01 2.968434609e+01 3.470436753e+01 3.654440002e+01 3.673328437e+01 2.028942035e+01 2.928732535e+01 3.539050328e+01 2.392270192e+01 2.893180546e+01 1.66 3.555286945e+01 2.906875076e+01 3.371416992e+01 3.591687357e+01 3.586487018e+01 1.999268860e+01 2.866355385e+01 3.474933747e+01 2.321281178e+01 2.858688744e+01 1.68 3.488223743e+01 2.834749460e+01 3.284176353e+01 3.506510342e+01 3.497774780e+01 1.976912199e+01 2.813261672e+01 3.377515460e+01 2.253921675e+01 2.815572318e+01 1.70 3.422921748e+01 2.759797733e+01 3.198620883e+01 3.422791321e+01 3.423168067e+01 1.955524147e+01 2.778759924e+01 3.287380152e+01 2.191498989e+01 2.764379899e+01 1.72 3.351880915e+01 2.690799829e+01 3.113406869e+01 3.361092291e+01 3.355625104e+01 1.934023803e+01 2.744330241e+01 3.219188624e+01 2.132895567e+01 2.704667228e+01 1.74 3.275682487e+01 2.623061490e+01 3.035255595e+01 3.278173352e+01 3.263801447e+01 1.916350040e+01 2.694626512e+01 3.150554809e+01 2.069471704e+01 2.638309895e+01 1.76 3.200625180e+01 2.553423201e+01 2.965507314e+01 3.197477220e+01 3.175748940e+01 1.901644984e+01 2.635336805e+01 3.089558676e+01 2.007478025e+01 2.567191520e+01 1.78 3.127672037e+01 2.481949065e+01 2.901526872e+01 3.120307616e+01 3.094132521e+01 1.887869096e+01 2.582733950e+01 3.024952400e+01 1.949778649e+01 2.494044405e+01 1.80 3.059127523e+01 2.412132406e+01 2.839100338e+01 3.040894222e+01 3.015680758e+01 1.874537336e+01 2.532499258e+01 2.966244196e+01 1.897653070e+01 2.423001268e+01 1.82 3.000032097e+01 2.346874614e+01 2.776529792e+01 2.980482867e+01 2.954623830e+01 1.860120175e+01 2.477997523e+01 2.915815406e+01 1.851061500e+01 2.357004329e+01 1.84 2.948948149e+01 2.288288069e+01 2.717199723e+01 2.927143807e+01 2.901671581e+01 1.846497238e+01 2.419941271e+01 2.864365011e+01 1.810669134e+01 2.294503244e+01 1.86 2.900306971e+01 2.235517574e+01 2.662973355e+01 2.878302351e+01 2.853677417e+01 1.835439776e+01 2.359113113e+01 2.809256479e+01 1.778014974e+01 2.232003894e+01 1.88 2.849319841e+01 2.185546860e+01 2.615374978e+01 2.827462898e+01 2.807089267e+01 1.828649873e+01 2.296603403e+01 2.755290183e+01 1.756230291e+01 2.168531712e+01 1.90 2.797518553e+01 2.136504958e+01 2.575453589e+01 2.790541433e+01 2.777398138e+01 1.827059351e+01 2.235390702e+01 2.701088538e+01 1.738028059e+01 2.109313228e+01 1.92 2.745609766e+01 2.088485084e+01 2.544695819e+01 2.759581681e+01 2.755843602e+01 1.831350243e+01 2.175741909e+01 2.645907458e+01 1.724046989e+01 2.055940869e+01 1.94 2.693529147e+01 2.042113244e+01 2.522554746e+01 2.707119335e+01 2.710632202e+01 1.839144147e+01 2.112010341e+01 2.588092628e+01 1.713299592e+01 2.006997262e+01 1.96 2.638949410e+01 1.997969421e+01 2.500807365e+01 2.658580402e+01 2.669591318e+01 1.846263013e+01 2.046642094e+01 2.533884664e+01 1.705384921e+01 1.958856801e+01 1.98 2.581977763e+01 1.957326970e+01 2.474741626e+01 2.608991268e+01 2.625772019e+01 1.850332763e+01 1.987427064e+01 2.484017846e+01 1.698197611e+01 1.911696925e+01 2.00 2.524875859e+01 1.924207931e+01 2.442383801e+01 2.552698922e+01 2.573584130e+01 1.851134578e+01 1.926212889e+01 2.432248887e+01 1.687215080e+01 1.868517884e+01 2.02 2.468625955e+01 1.894809778e+01 2.405728903e+01 2.491580497e+01 2.512572740e+01 1.850621461e+01 1.863529896e+01 2.370605403e+01 1.672017928e+01 1.829710538e+01 2.04 2.414040470e+01 1.868416028e+01 2.365629319e+01 2.439955278e+01 2.457788964e+01 1.848827477e+01 1.804214294e+01 2.305279580e+01 1.656884854e+01 1.794160950e+01 2.06 2.358797782e+01 1.841372951e+01 2.319057647e+01 2.401415209e+01 2.418383200e+01 1.843210919e+01 1.750354121e+01 2.250914118e+01 1.646639031e+01 1.758097542e+01 2.08 2.301271102e+01 1.812018858e+01 2.263915337e+01 2.353587831e+01 2.373687124e+01 1.832140055e+01 1.699294469e+01 2.199807876e+01 1.633801464e+01 1.720226186e+01 2.10 2.245666438e+01 1.781495949e+01 2.204021925e+01 2.295876540e+01 2.318864083e+01 1.817654384e+01 1.650560575e+01 2.151416118e+01 1.619288134e+01 1.684830549e+01 2.12 2.194743181e+01 1.750838575e+01 2.140694817e+01 2.229202517e+01 2.251939713e+01 1.800794074e+01 1.610442499e+01 2.104872834e+01 1.523611356e+01 1.653477925e+01 2.14 2.149976562e+01 1.494292735e+01 2.075009435e+01 2.174005642e+01 2.192913074e+01 1.782548195e+01 1.578874573e+01 2.061684737e+01 1.226886304e+01 1.626185397e+01 2.16 2.110355673e+01 1.035292133e+01 2.008531238e+01 2.125906046e+01 2.139057908e+01 1.580535410e+01 1.551273570e+01 2.018135649e+01 9.748890254e+00 1.602356022e+01 2.18 2.070641561e+01 5.963911426e+00 1.941584048e+01 2.077129490e+01 2.083305372e+01 1.346903918e+01 1.521328070e+01 1.976272726e+01 7.803577423e+00 1.580685585e+01 2.20 2.023953134e+01 1.722005952e+00 1.874074377e+01 2.024458492e+01 2.024201869e+01 1.134775984e+01 1.492359913e+01 1.929591223e+01 6.206413415e+00 1.559299684e+01 2.22 1.975178643e+01 -1.688609889e+00 1.813350302e+01 1.975001587e+01 1.969929000e+01 9.393612755e+00 1.469458819e+01 1.890909554e+01 4.595882996e+00 1.541657735e+01 2.24 1.930490182e+01 -4.127393096e+00 1.763931666e+01 1.935398595e+01 1.927606128e+01 7.306858749e+00 1.455933902e+01 1.869568185e+01 2.791013959e+00 1.529346464e+01 2.26 1.890041120e+01 -5.618952216e+00 1.724809261e+01 1.906006142e+01 1.897636350e+01 4.859551485e+00 1.451147326e+01 1.838447941e+01 1.022078651e+00 1.520671326e+01 2.28 1.854493554e+01 -6.435210461e+00 1.693655609e+01 1.870379625e+01 1.862953312e+01 2.297423301e+00 1.333472850e+01 1.799656202e+01 -5.315290462e-01 1.455211526e+01 2.30 1.824027712e+01 -6.937525563e+00 1.666756644e+01 1.824414380e+01 1.816842762e+01 -9.924075281e-02 9.562416783e+00 1.757842958e+01 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