# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Kim-J-S-Seol-D-Ji-J-et-al--Pt-V # implementation = 2017--Kim-J-S--Pt-V--LAMMPS--ipr1 # composition = Pt3V # 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 1.150008531e+03 nan nan 0.86 1.067529187e+03 nan nan 0.88 9.906457213e+02 nan nan 0.90 9.189937537e+02 nan nan 0.92 8.522318225e+02 1.828158695e+03 nan 0.94 7.900399862e+02 1.703197729e+03 2.207236803e+03 0.96 7.321185098e+02 1.586402554e+03 2.058472453e+03 0.98 6.781866274e+02 1.477257157e+03 1.919315563e+03 1.00 6.279813798e+02 1.375277215e+03 1.789165271e+03 1.02 5.812565202e+02 1.280008194e+03 1.667457289e+03 1.04 5.377814866e+02 1.191023571e+03 1.553661730e+03 1.06 4.973404336e+02 1.107923145e+03 1.447281054e+03 1.08 4.597313243e+02 1.030331460e+03 1.347848149e+03 1.10 4.247650747e+02 9.578963152e+02 1.254924511e+03 1.12 3.922647515e+02 8.902873584e+02 1.168098534e+03 1.14 3.620648159e+02 8.271947706e+02 1.086983905e+03 1.16 3.340104152e+02 7.683280224e+02 1.011218082e+03 1.18 3.079567155e+02 7.134147051e+02 9.404608754e+02 1.20 2.837682756e+02 6.621994316e+02 8.743930978e+02 1.22 2.613184586e+02 6.144428014e+02 8.127153051e+02 1.24 2.404888795e+02 5.699204274e+02 7.551466048e+02 1.26 2.211688859e+02 5.284220205e+02 7.014235367e+02 1.28 2.032550705e+02 4.897505284e+02 6.512990195e+02 1.30 1.866508138e+02 4.537213254e+02 6.045413592e+02 1.32 1.712658541e+02 4.201614516e+02 5.609333168e+02 1.34 1.570158846e+02 3.889088958e+02 5.202712300e+02 1.36 1.438221741e+02 3.598119230e+02 4.823641883e+02 1.38 1.316112126e+02 3.327284412e+02 4.470332561e+02 1.40 1.203143772e+02 3.075254060e+02 4.141107425e+02 1.42 1.098676195e+02 2.840782620e+02 3.834395142e+02 1.44 1.002111723e+02 2.622704166e+02 3.548723492e+02 1.46 9.128927424e+01 2.419927465e+02 3.282713301e+02 1.48 8.304991160e+01 2.231431334e+02 3.035072722e+02 1.50 7.544457623e+01 2.056260277e+02 2.804591867e+02 1.52 6.842803852e+01 1.893520395e+02 2.590137761e+02 1.54 6.195812986e+01 1.742375529e+02 2.390649596e+02 1.56 5.599553968e+01 1.602043656e+02 2.205134268e+02 1.58 5.050363990e+01 1.471793485e+02 2.032662191e+02 1.60 4.544831035e+01 1.350941274e+02 1.872363351e+02 1.62 4.079777391e+01 1.238847841e+02 1.723423612e+02 1.64 3.652244203e+01 1.134915744e+02 1.585081234e+02 1.66 3.259477015e+01 1.038586655e+02 1.456623607e+02 1.68 2.898912234e+01 9.493388754e+01 1.337384184e+02 1.70 2.568164460e+01 8.666850166e+01 1.226739596e+02 1.72 2.265014628e+01 7.901698186e+01 1.124106948e+02 1.74 1.987398912e+01 7.193681035e+01 1.028941276e+02 1.76 1.733398340e+01 6.538828565e+01 9.407331559e+01 1.78 1.501229085e+01 5.933434248e+01 8.590064704e+01 1.80 1.289233375e+01 5.374038285e+01 7.833162991e+01 1.82 1.095870997e+01 4.857411766e+01 7.132469460e+01 1.84 9.197113494e+00 4.380541812e+01 6.484100856e+01 1.86 7.594260154e+00 3.940617649e+01 5.884430239e+01 1.88 6.137818114e+00 3.535017543e+01 5.330070662e+01 1.90 4.816342995e+00 3.161296564e+01 4.817859853e+01 1.92 3.619217165e+00 2.817175110e+01 4.344845854e+01 1.94 2.536593068e+00 2.500528149e+01 3.908273542e+01 1.96 1.559340237e+00 2.209375148e+01 3.505571990e+01 1.98 6.789958336e-01 1.941870628e+01 3.134342614e+01 2.00 -1.122815744e-01 1.696295323e+01 2.792348060e+01 2.02 -8.217551479e-01 1.471047890e+01 2.477501779e+01 2.04 -1.456150065e+00 1.264637154e+01 2.187858259e+01 2.06 -2.021691116e+00 1.075674839e+01 1.921603872e+01 2.08 -2.524137795e+00 9.028687689e+00 1.677048284e+01 2.10 -2.968817040e+00 7.450164934e+00 1.452616419e+01 2.12 -3.360653771e+00 6.009993298e+00 1.246840920e+01 2.14 -3.704199380e+00 4.697767819e+00 1.058355090e+01 2.16 -4.003658292e+00 3.503813193e+00 8.858862796e+00 2.18 -4.262912731e+00 2.419134916e+00 7.282496909e+00 2.20 -4.485545795e+00 1.435373590e+00 5.843425793e+00 2.22 -4.674862977e+00 5.447621702e-01 4.531388214e+00 2.24 -4.833912191e+00 -2.599140118e-01 3.336838304e+00 2.26 -4.965502448e+00 -9.853546277e-01 2.250897968e+00 2.28 -5.072221227e+00 -1.637779305e+00 1.265312334e+00 2.30 -5.156450665e+00 -2.222960295e+00 3.724080708e-01 2.32 -5.220382608e+00 -2.746253006e+00 -4.349456160e-01 2.34 -5.266032628e+00 -3.212624541e+00 -1.163373474e+00 2.36 -5.295253052e+00 -3.626680354e+00 -1.819028329e+00 2.38 -5.309745087e+00 -3.992696659e+00 -2.407623010e+00 2.40 -5.311070081e+00 -4.314716412e+00 -2.934460184e+00 2.42 -5.300659994e+00 -4.596522391e+00 -3.404460269e+00 2.44 -5.279827120e+00 -4.841600938e+00 -3.822187506e+00 2.46 -5.249445971e+00 -5.053163303e+00 -4.191874343e+00 2.48 -5.206661260e+00 -5.234166317e+00 -4.517444206e+00 2.50 -5.155665710e+00 -5.387331577e+00 -4.802532784e+00 2.52 -5.105629964e+00 -5.515163240e+00 -5.050507904e+00 2.54 -5.050952632e+00 -5.619964522e+00 -5.264488097e+00 2.56 -4.992490994e+00 -5.703852998e+00 -5.447359932e+00 2.58 -4.931003992e+00 -5.768774786e+00 -5.601794198e+00 2.60 -4.867161647e+00 -5.816517689e+00 -5.730261017e+00 2.62 -4.801553654e+00 -5.848723373e+00 -5.835043944e+00 2.64 -4.734697204e+00 -5.866898652e+00 -5.918253100e+00 2.66 -4.667044108e+00 -5.872425934e+00 -5.981837463e+00 2.68 -4.598987258e+00 -5.866572896e+00 -6.027596305e+00 2.70 -4.530866502e+00 -5.850501441e+00 -6.057189864e+00 2.72 -4.462973955e+00 -5.825275986e+00 -6.072149295e+00 2.74 -4.395558804e+00 -5.791872205e+00 -6.073887550e+00 2.76 -4.328831649e+00 -5.751232189e+00 -6.063780123e+00 2.78 -4.262968401e+00 -5.704280220e+00 -6.043186918e+00 2.80 -4.198113799e+00 -5.651855618e+00 -6.013349919e+00 2.82 -4.134384545e+00 -5.594714792e+00 -5.975394843e+00 2.84 -4.071872121e+00 -5.533538514e+00 -5.930340781e+00 2.86 -4.010645294e+00 -5.468938627e+00 -5.879109129e+00 2.88 -3.950752342e+00 -5.401464198e+00 -5.822531824e+00 2.90 -3.892223037e+00 -5.331607184e+00 -5.761358958e+00 2.92 -3.835070398e+00 -5.259807631e+00 -5.696265794e+00 2.94 -3.779292247e+00 -5.186458444e+00 -5.627859246e+00 2.96 -3.724872592e+00 -5.111909769e+00 -5.556683849e+00 2.98 -3.671782872e+00 -5.036473004e+00 -5.483227253e+00 3.00 -3.619983075e+00 -4.960424477e+00 -5.407925293e+00 3.02 -3.569422773e+00 -4.884008818e+00 -5.331166647e+00 3.04 -3.520042105e+00 -4.807442033e+00 -5.253297121e+00 3.06 -3.471772731e+00 -4.730914328e+00 -5.174623587e+00 3.08 -3.424538801e+00 -4.654592677e+00 -5.095417607e+00 3.10 -3.378257971e+00 -4.578623177e+00 -5.015918745e+00 3.12 -3.332842496e+00 -4.503133189e+00 -4.936337621e+00 3.14 -3.288200444e+00 -4.428233289e+00 -4.856858700e+00 3.16 -3.244237038e+00 -4.354019051e+00 -4.777642847e+00 3.18 -3.200856167e+00 -4.280572662e+00 -4.698829671e+00 3.20 -3.157962036e+00 -4.207964392e+00 -4.620539662e+00 3.22 -3.115460977e+00 -4.136253929e+00 -4.542876144e+00 3.24 -3.073263355e+00 -4.065491587e+00 -4.465927064e+00 3.26 -3.031285519e+00 -3.995719403e+00 -4.389766614e+00 3.28 -2.989451731e+00 -3.926972125e+00 -4.314456715e+00 3.30 -2.947695947e+00 -3.859278105e+00 -4.240048364e+00 3.32 -2.905963368e+00 -3.792660105e+00 -4.166582860e+00 3.34 -2.864211631e+00 -3.727136020e+00 -4.094092919e+00 3.36 -2.822411555e+00 -3.662719528e+00 -4.022603677e+00 3.38 -2.780547376e+00 -3.599420666e+00 -3.952133609e+00 3.40 -2.738616420e+00 -3.537246353e+00 -3.882695351e+00 3.42 -2.696628243e+00 -3.476200847e+00 -3.814296447e+00 3.44 -2.654603283e+00 -3.416286151e+00 -3.746940022e+00 3.46 -2.612571113e+00 -3.357502371e+00 -3.680625385e+00 3.48 -2.570568432e+00 -3.299848025e+00 -3.615348573e+00 3.50 -2.528636921e+00 -3.243320313e+00 -3.551102836e+00 3.52 -2.486821119e+00 -3.187915345e+00 -3.487879077e+00 3.54 -2.445166446e+00 -3.133628332e+00 -3.425666234e+00 3.56 -2.403717471e+00 -3.080453738e+00 -3.364451632e+00 3.58 -2.362516511e+00 -3.028385400e+00 -3.304221283e+00 3.60 -2.321602600e+00 -2.977416618e+00 -3.244960166e+00 3.62 -2.281010814e+00 -2.927540198e+00 -3.186652460e+00 3.64 -2.240771954e+00 -2.878748478e+00 -3.129281753e+00 3.66 -2.200912515e+00 -2.831033309e+00 -3.072831235e+00 3.68 -2.161454892e+00 -2.784386000e+00 -3.017283846e+00 3.70 -2.122417740e+00 -2.738797230e+00 -2.962622426e+00 3.72 -2.083816443e+00 -2.694256921e+00 -2.908829825e+00 3.74 -2.045663598e+00 -2.650754064e+00 -2.855889010e+00 3.76 -2.007969512e+00 -2.608276510e+00 -2.803783149e+00 3.78 -1.970742625e+00 -2.566810700e+00 -2.752495686e+00 3.80 -1.933989897e+00 -2.526341363e+00 -2.702010395e+00 3.82 -1.897717095e+00 -2.486726769e+00 -2.652311434e+00 3.84 -1.861929031e+00 -2.436926180e+00 -2.603383380e+00 3.86 -1.826629727e+00 -2.325456400e+00 -2.555211262e+00 3.88 -1.791822529e+00 -2.098499116e+00 -2.507780579e+00 3.90 -1.757510184e+00 -1.922686976e+00 -2.461077317e+00 3.92 -1.723694891e+00 -1.893196616e+00 -2.415087958e+00 3.94 -1.690364789e+00 -1.864521530e+00 -2.369799487e+00 3.96 -1.646031171e+00 -1.836611521e+00 -2.325199384e+00 3.98 -1.504542432e+00 -1.809410933e+00 -2.281275629e+00 4.00 -1.116603812e+00 -1.782858449e+00 -2.238016687e+00 4.02 -3.311578719e-01 -1.756887122e+00 -2.195411499e+00 4.04 -2.586023596e-01 -1.731424694e+00 -2.153449475e+00 4.06 -2.515688735e-01 -1.706394290e+00 -2.112120469e+00 4.08 -2.447219284e-01 -1.681715556e+00 -2.071414772e+00 4.10 -2.380564411e-01 -1.657306265e+00 -2.031323091e+00 4.12 -2.315674782e-01 -1.633084424e+00 -1.991836528e+00 4.14 -2.252502512e-01 -1.608970806e+00 -1.952946566e+00 4.16 -2.191001134e-01 -1.584891830e+00 -1.914645045e+00 4.18 -2.131125549e-01 -1.560782576e+00 -1.876924145e+00 4.20 -2.072831987e-01 -1.536589713e+00 -1.839776365e+00 4.22 -2.016077972e-01 -1.512274057e+00 -1.803194504e+00 4.24 -1.960822274e-01 -1.487812443e+00 -1.767171641e+00 4.26 -1.907024876e-01 -1.463198692e+00 -1.731701114e+00 4.28 -1.854646935e-01 -1.438443471e+00 -1.696776506e+00 4.30 -1.803650741e-01 -1.413573016e+00 -1.662391620e+00 4.32 -1.753999684e-01 -1.388626811e+00 -1.628540467e+00 4.34 -1.705658217e-01 -1.363654440e+00 -1.595217248e+00 4.36 -1.658591822e-01 -1.338711952e+00 -1.562416334e+00 4.38 -1.612766974e-01 -1.313858098e+00 -1.530132253e+00 4.40 -1.568151111e-01 -1.289150821e+00 -1.498359676e+00 4.42 -1.520722220e-01 -1.261381790e+00 -1.463073786e+00 4.44 -1.420714470e-01 -1.189329789e+00 -1.373648419e+00 4.46 -1.146580984e-01 -9.695448161e-01 -1.105784795e+00 4.48 -5.809502534e-02 -4.966907581e-01 -5.475476740e-01 4.50 -6.448484980e-23 -2.612294646e-22 -2.318486435e-22 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.54 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