# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2022--Guo-J-Ward-L-Babuji-Y-et-al--Li-K-Cl # implementation = 2022--Guo-J--Li-K-Cl--LAMMPS--ipr1 # composition = 17319 # 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 2022-12-14 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 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 nan nan 2.055743118e+02 1.16 nan nan 1.942724479e+02 1.18 nan nan 1.837959085e+02 1.20 nan nan 1.739872053e+02 1.22 nan nan 1.648363492e+02 1.24 nan nan 1.562325401e+02 1.26 nan 1.356922752e+02 1.480939057e+02 1.28 nan 1.285448102e+02 nan 1.30 nan 1.217300903e+02 1.331457339e+02 1.32 nan 1.152979949e+02 1.263227911e+02 1.34 nan 1.092168378e+02 1.198844608e+02 1.36 nan 1.034475836e+02 1.137755435e+02 1.38 nan 9.799039704e+01 1.079913798e+02 1.40 nan 9.283114274e+01 1.025940966e+02 1.42 6.147792320e+01 8.794141484e+01 9.751817461e+01 1.44 5.767099409e+01 8.330061426e+01 9.269147080e+01 1.46 5.400719964e+01 7.894130881e+01 8.806118930e+01 1.48 5.049088628e+01 7.485110048e+01 8.359074260e+01 1.50 4.714616553e+01 7.096362275e+01 7.927299047e+01 1.52 4.394618895e+01 6.722854473e+01 7.511476267e+01 1.54 4.086934113e+01 6.361094516e+01 7.108388067e+01 1.56 3.791287088e+01 6.007292613e+01 6.717814181e+01 1.58 3.507582012e+01 5.659742127e+01 6.341022426e+01 1.60 3.236401861e+01 5.318482343e+01 5.978941614e+01 1.62 2.978765660e+01 4.983937412e+01 5.631956391e+01 1.64 2.734246510e+01 4.657623103e+01 5.298989896e+01 1.66 2.503618571e+01 4.343830606e+01 4.980613722e+01 1.68 2.285847836e+01 4.045924673e+01 4.679122410e+01 1.70 2.079702812e+01 3.764055934e+01 4.392428566e+01 1.72 1.884274679e+01 3.496870578e+01 4.118986540e+01 1.74 1.698937974e+01 3.242530469e+01 3.857901509e+01 1.76 1.523014834e+01 3.001013140e+01 3.608362324e+01 1.78 1.355401681e+01 2.772236836e+01 3.369423610e+01 1.80 1.196792002e+01 2.555144376e+01 3.139861626e+01 1.82 1.047845758e+01 2.349011579e+01 2.919576705e+01 1.84 9.089086017e+00 2.153506909e+01 2.708207618e+01 1.86 7.813943289e+00 1.968309948e+01 2.505563391e+01 1.88 6.640494806e+00 1.793209167e+01 2.314495479e+01 1.90 5.554404999e+00 1.628116461e+01 2.136890163e+01 1.92 4.542533711e+00 1.473667563e+01 1.971173658e+01 1.94 3.591621499e+00 1.331166598e+01 1.815645593e+01 1.96 2.689779542e+00 1.199480105e+01 1.668442353e+01 1.98 1.834106988e+00 1.078114874e+01 1.527324006e+01 2.00 1.020613194e+00 9.657795503e+00 1.391401393e+01 2.02 2.469320566e-01 8.604868121e+00 1.260198300e+01 2.04 -4.878048838e-01 7.603310218e+00 1.133481548e+01 2.06 -1.183260247e+00 6.638843769e+00 1.010980962e+01 2.08 -1.837793052e+00 5.702211939e+00 8.925443011e+00 2.10 -2.448462803e+00 4.788515698e+00 7.781522044e+00 2.12 -3.010501610e+00 3.896933573e+00 6.679810190e+00 2.14 -3.520461444e+00 3.025951653e+00 5.623269020e+00 2.16 -3.974414076e+00 2.175588730e+00 4.616729157e+00 2.18 -4.367158883e+00 1.345379308e+00 3.666303932e+00 2.20 -4.712123198e+00 5.363583705e-01 2.777299431e+00 2.22 -5.018847235e+00 -2.477960730e-01 1.959533925e+00 2.24 -5.291140389e+00 -1.000804670e+00 1.211828338e+00 2.26 -5.536519286e+00 -1.715183040e+00 5.226643604e-01 2.28 -5.760842946e+00 -2.384798285e+00 -1.143589704e-01 2.30 -5.968307869e+00 -3.007641207e+00 -7.078613984e-01 2.32 -6.161729383e+00 -3.581169554e+00 -1.265281218e+00 2.34 -6.342985820e+00 -4.104695420e+00 -1.792595381e+00 2.36 -6.513468868e+00 -4.581886417e+00 -2.294275228e+00 2.38 -6.674406232e+00 -5.014500854e+00 -2.773449269e+00 2.40 -6.826974330e+00 -5.403371769e+00 -3.232191494e+00 2.42 -6.972181510e+00 -5.750045152e+00 -3.671822921e+00 2.44 -7.110579107e+00 -6.056291823e+00 -4.092713087e+00 2.46 -7.241942787e+00 -6.324143444e+00 -4.495273779e+00 2.48 -7.363989089e+00 -6.553303901e+00 -4.877817155e+00 2.50 -7.473819981e+00 -6.744394092e+00 -5.238485823e+00 2.52 -7.569570713e+00 -6.901364153e+00 -5.577063504e+00 2.54 -7.650138315e+00 -7.028529473e+00 -5.892706020e+00 2.56 -7.715963133e+00 -7.130467201e+00 -6.184024640e+00 2.58 -7.769565814e+00 -7.209665702e+00 -6.449396606e+00 2.60 -7.814629563e+00 -7.260374410e+00 -6.687494109e+00 2.62 -7.851189785e+00 -7.288218218e+00 -6.898007723e+00 2.64 -7.880681914e+00 -7.300420529e+00 -7.082547466e+00 2.66 -7.902624908e+00 -7.303598639e+00 -7.244595154e+00 2.68 -7.917935211e+00 -7.303340324e+00 -7.384336188e+00 2.70 -7.927853577e+00 -7.303882480e+00 -7.502480583e+00 2.72 -7.933448628e+00 -7.307977866e+00 -7.600092773e+00 2.74 -7.935075797e+00 -7.316999510e+00 -7.678427481e+00 2.76 -7.931050695e+00 -7.331251386e+00 -7.738972418e+00 2.78 -7.922976284e+00 -7.350374270e+00 -7.783468505e+00 2.80 -7.913000011e+00 -7.373712683e+00 -7.813907648e+00 2.82 -7.903215272e+00 -7.400553517e+00 -7.832511607e+00 2.84 -7.895485990e+00 -7.430221447e+00 -7.841698350e+00 2.86 -7.890953851e+00 -7.462075979e+00 -7.838220137e+00 2.88 -7.890281553e+00 -7.495480807e+00 -7.819457405e+00 2.90 -7.893997235e+00 -7.529810674e+00 -7.790158030e+00 2.92 -7.902098350e+00 -7.564533347e+00 -7.755105316e+00 2.94 -7.914106844e+00 -7.599368014e+00 -7.718773771e+00 2.96 -7.929159708e+00 -7.634496183e+00 -7.684974179e+00 2.98 -7.945839145e+00 -7.669504448e+00 -7.655579106e+00 3.00 -7.962864073e+00 -7.703297887e+00 -7.631168490e+00 3.02 -7.979317665e+00 -7.735501115e+00 -7.612210996e+00 3.04 -7.994338965e+00 -7.764871334e+00 -7.598471142e+00 3.06 -8.007246681e+00 -7.792034808e+00 -7.589355162e+00 3.08 -8.017622786e+00 -7.818979401e+00 -7.584225019e+00 3.10 -8.025335930e+00 -7.848285345e+00 -7.582607818e+00 3.12 -8.030505358e+00 -7.877650185e+00 -7.584276649e+00 3.14 -8.033425623e+00 -7.906071435e+00 -7.589222127e+00 3.16 -8.034481031e+00 -7.933208413e+00 -7.597555344e+00 3.18 -8.034460846e+00 -7.958587496e+00 -7.609383859e+00 3.20 -8.034474985e+00 -7.981730728e+00 -7.624694038e+00 3.22 -8.034715138e+00 -8.002266519e+00 -7.643264193e+00 3.24 -8.035422861e+00 -8.019997969e+00 -7.664624932e+00 3.26 -8.037032402e+00 -8.034920431e+00 -7.688073154e+00 3.28 -8.040320253e+00 -8.047195883e+00 -7.712734389e+00 3.30 -8.045597221e+00 -8.057101432e+00 -7.737659362e+00 3.32 -8.051742562e+00 -8.064971225e+00 -7.761940039e+00 3.34 -8.058843327e+00 -8.071146958e+00 -7.784837859e+00 3.36 -8.066952071e+00 -8.075945341e+00 -7.805926890e+00 3.38 -8.076033812e+00 -8.079644223e+00 -7.825261174e+00 3.40 -8.085966436e+00 -8.082484040e+00 -7.843575647e+00 3.42 -8.096548266e+00 -8.084678437e+00 -7.862501804e+00 3.44 -8.107216498e+00 -8.086427184e+00 -7.881607301e+00 3.46 -8.117580646e+00 -8.087925719e+00 -7.899721120e+00 3.48 -8.127487606e+00 -8.089367989e+00 -7.916984496e+00 3.50 -8.136788933e+00 -8.090942053e+00 -7.933613276e+00 3.52 -8.145351771e+00 -8.092820147e+00 -7.949778951e+00 3.54 -8.153065793e+00 -8.095146057e+00 -7.965547694e+00 3.56 -8.159845532e+00 -8.098022718e+00 -7.980948318e+00 3.58 -8.165628650e+00 -8.101502467e+00 -7.995970157e+00 3.60 -8.170371704e+00 -8.105581715e+00 -8.010566120e+00 3.62 -8.174045452e+00 -8.110201243e+00 -8.024660020e+00 3.64 -8.176631614e+00 -8.115213953e+00 -8.038156655e+00 3.66 -8.178122227e+00 -8.120464324e+00 -8.050952783e+00 3.68 -8.178521574e+00 -8.125953548e+00 -8.062947204e+00 3.70 -8.177849679e+00 -8.131670268e+00 -8.074048540e+00 3.72 -8.176145704e+00 -8.137582823e+00 -8.084180004e+00 3.74 -8.173469681e+00 -8.143639391e+00 -8.093281137e+00 3.76 -8.169901559e+00 -8.149769263e+00 -8.101307281e+00 3.78 -8.165537409e+00 -8.155885203e+00 -8.108228012e+00 3.80 -8.160483383e+00 -8.161886766e+00 -8.114026052e+00 3.82 -8.154848484e+00 -8.167664349e+00 -8.118698010e+00 3.84 -8.148737292e+00 -8.173103688e+00 -8.122257755e+00 3.86 -8.142243569e+00 -8.178090507e+00 -8.124742330e+00 3.88 -8.135445273e+00 -8.182515017e+00 -8.126219211e+00 3.90 -8.128401132e+00 -8.186276015e+00 -8.126792657e+00 3.92 -8.121148634e+00 -8.189284401e+00 -8.126606410e+00 3.94 -8.113703086e+00 -8.191465956e+00 -8.125840204e+00 3.96 -8.106057376e+00 -8.192763317e+00 -8.124698837e+00 3.98 -8.098182116e+00 -8.193137138e+00 -8.123394529e+00 4.00 -8.090025922e+00 -8.192566438e+00 -8.122125483e+00 4.02 -8.081512837e+00 -8.191048215e+00 -8.121055065e+00 4.04 -8.072361942e+00 -8.188596410e+00 -8.120296177e+00 4.06 -8.062330799e+00 -8.185240306e+00 -8.119904122e+00 4.08 -8.051266325e+00 -8.181022500e+00 -8.119878891e+00 4.10 -8.039003778e+00 -8.175996530e+00 -8.120175329e+00 4.12 -8.025373062e+00 -8.170224289e+00 -8.120717896e+00 4.14 -8.010208618e+00 -8.163773319e+00 -8.121416218e+00 4.16 -7.993362211e+00 -8.156714073e+00 -8.122178265e+00 4.18 -7.974717214e+00 -8.149117239e+00 -8.122919313e+00 4.20 -7.954202301e+00 -8.141051204e+00 -8.123470057e+00 4.22 -7.931802252e+00 -8.132579716e+00 -8.123476286e+00 4.24 -7.907563696e+00 -8.123759827e+00 -8.122864478e+00 4.26 -7.881594364e+00 -8.114640148e+00 -8.121615318e+00 4.28 -7.854055435e+00 -8.104906902e+00 -8.119740057e+00 4.30 -7.825147746e+00 -8.094192793e+00 -8.117272654e+00 4.32 -7.795093664e+00 -8.082551208e+00 -8.114261341e+00 4.34 -7.764117046e+00 -8.070032037e+00 -8.110760674e+00 4.36 -7.732423951e+00 -8.056680488e+00 -8.106824825e+00 4.38 -7.700186466e+00 -8.042537261e+00 -8.102502477e+00 4.40 -7.667531524e+00 -8.027639440e+00 -8.097833414e+00 4.42 -7.633634727e+00 -8.012022016e+00 -8.092846687e+00 4.44 -7.597546495e+00 -7.995719913e+00 -8.087560118e+00 4.46 -7.559304817e+00 -7.978770241e+00 -8.081980834e+00 4.48 -7.518920851e+00 -7.961214488e+00 -8.076106544e+00 4.50 -7.476393671e+00 -7.943100286e+00 -8.069927258e+00 4.52 -7.431730113e+00 -7.924482449e+00 -8.063427237e+00 4.54 -7.384966937e+00 -7.905423004e+00 -8.056586975e+00 4.56 -7.336192789e+00 -7.885990077e+00 -8.049385057e+00 4.58 -7.285566939e+00 -7.866255623e+00 -8.041799820e+00 4.60 -7.233331619e+00 -7.846292172e+00 -8.033810699e+00 4.62 -7.179815122e+00 -7.826168890e+00 -8.025399244e+00 4.64 -7.125423921e+00 -7.805947359e+00 -8.016549747e+00 4.66 -7.070623926e+00 -7.785677513e+00 -8.007249467e+00 4.68 -7.015913178e+00 -7.765394147e+00 -7.997488428e+00 4.70 -6.961790266e+00 -7.745114327e+00 -7.987258799e+00 4.72 -6.908723763e+00 -7.724835885e+00 -7.976553829e+00 4.74 -6.857127665e+00 -7.704537083e+00 -7.965366377e+00 4.76 -6.807346326e+00 -7.684177355e+00 -7.953687027e+00 4.78 -6.759650125e+00 -7.663698972e+00 -7.941501860e+00 4.80 -6.714240943e+00 -7.643029383e+00 -7.928789928e+00 4.82 -6.671264785e+00 -7.622083960e+00 -7.915520521e+00 4.84 -6.630828889e+00 -7.600768914e+00 -7.901650382e+00 4.86 -6.593034192e+00 -7.578984181e+00 -7.887121018e+00 4.88 -6.557964198e+00 -7.556626186e+00 -7.871856343e+00 4.90 -6.525675729e+00 -7.533590489e+00 -7.855760913e+00 4.92 -6.496207876e+00 -7.509774421e+00 -7.838719037e+00 4.94 -6.469465461e+00 -7.484341704e+00 -7.819897574e+00 4.96 -6.445348282e+00 -7.456414800e+00 -7.798402831e+00 4.98 -6.423857075e+00 -7.425843256e+00 -7.773978182e+00 5.00 -6.404957128e+00 -7.392503090e+00 -7.746328769e+00 5.02 -6.388566708e+00 -7.356313699e+00 -7.715139068e+00 5.04 -6.374548717e+00 -7.317256980e+00 -7.680098925e+00 5.06 -6.362708130e+00 -7.275397602e+00 -7.640936798e+00 5.08 -6.352796623e+00 -7.230902905e+00 -7.597457308e+00 5.10 -6.344524258e+00 -7.184060615e+00 -7.549578772e+00 5.12 -6.337576677e+00 -7.135292449e+00 -7.497365365e+00 5.14 -6.331635349e+00 -7.085027422e+00 -7.441048570e+00 5.16 -6.326398289e+00 -7.033419367e+00 -7.381033597e+00 5.18 -6.321599244e+00 -6.981001918e+00 -7.317888581e+00 5.20 -6.317024362e+00 -6.928356635e+00 -7.252317130e+00 5.22 -6.312526348e+00 -6.876052085e+00 -7.185117585e+00 5.24 -6.308036961e+00 -6.824619363e+00 -7.117134476e+00 5.26 -6.303579005e+00 -6.774532777e+00 -7.049208691e+00 5.28 -6.299278998e+00 -6.726196971e+00 -6.982132501e+00 5.30 -6.295367628e+00 -6.679940717e+00 -6.916614214e+00 5.32 -6.291799499e+00 -6.636016780e+00 -6.853255100e+00 5.34 -6.288490851e+00 -6.594606668e+00 -6.792539080e+00 5.36 -6.285442888e+00 -6.555828779e+00 -6.734833826e+00 5.38 -6.282654303e+00 -6.519748404e+00 -6.680400742e+00 5.40 -6.280121545e+00 -6.486388233e+00 -6.629410721e+00 5.42 -6.277839061e+00 -6.455738258e+00 -6.581962623e+00 5.44 -6.275799522e+00 -6.427764284e+00 -6.538101753e+00 5.46 -6.273994034e+00 -6.402414570e+00 -6.497836231e+00 5.48 -6.272412328e+00 -6.379624408e+00 -6.461149749e+00 5.50 -6.271042947e+00 -6.359318678e+00 -6.428009830e+00 5.52 -6.269873412e+00 -6.341412631e+00 -6.398371313e+00 5.54 -6.268890388e+00 -6.325811291e+00 -6.372175375e+00 5.56 -6.268079846e+00 -6.312407999e+00 -6.349344936e+00 5.58 -6.267427217e+00 -6.301082652e+00 -6.329777797e+00 5.60 -6.266917552e+00 -6.291700198e+00 -6.313339203e+00 5.62 -6.266535684e+00 -6.284109879e+00 -6.299855644e+00 5.64 -6.266266383e+00 -6.278145581e+00 -6.289111517e+00 5.66 -6.266094525e+00 -6.273627472e+00 -6.280849797e+00 5.68 -6.266005244e+00 -6.270364951e+00 -6.274777141e+00 5.70 -6.265984099e+00 -6.268160745e+00 -6.270573070e+00 5.72 -6.266017219e+00 -6.266815894e+00 -6.267902220e+00 5.74 -6.266091448e+00 -6.266135291e+00 -6.266428242e+00 5.76 -6.266194474e+00 -6.265933466e+00 -6.265827923e+00 5.78 -6.266314935e+00 -6.266040369e+00 -6.265804319e+00 5.80 -6.266442513e+00 -6.266306996e+00 -6.266098219e+00 5.82 -6.266567997e+00 -6.266610819e+00 -6.266497739e+00 5.84 -6.266683318e+00 -6.266861077e+00 -6.266846327e+00 5.86 -6.266781565e+00 -6.267004028e+00 -6.267049724e+00 5.88 -6.266856959e+00 -6.267028321e+00 -6.267082566e+00 5.90 -6.266904806e+00 -6.266970598e+00 -6.266995235e+00 5.92 -6.266921419e+00 -6.266921419e+00 -6.266921419e+00 5.94 -6.266921419e+00 -6.266921419e+00 -6.266921419e+00 5.96 -6.266921419e+00 -6.266921419e+00 -6.266921419e+00 5.98 -6.266921419e+00 -6.266921419e+00 -6.266921419e+00 6.00 -6.266921419e+00 -6.266921419e+00 -6.266921419e+00