# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Branicio-P-S-Rino-J-P-Gan-C-K-Tsuzuki-H--In-P # implementation = 2009--Branicio-P-S--In-P--LAMMPS--ipr1 # composition = In3P # 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 3.916386264e+03 nan nan 1.06 3.301149269e+03 nan nan 1.08 2.791165923e+03 nan nan 1.10 2.367028501e+03 nan nan 1.12 2.013156549e+03 4.359115124e+03 nan 1.14 1.716875273e+03 3.718258503e+03 nan 1.16 1.467925901e+03 3.180365376e+03 3.997108569e+03 1.18 1.258152092e+03 2.727141191e+03 3.427199240e+03 1.20 1.080997408e+03 2.344095707e+03 2.945718980e+03 1.22 9.311540210e+02 2.019497964e+03 2.538000571e+03 1.24 8.042569182e+02 1.743771744e+03 2.192084101e+03 1.26 6.966186488e+02 1.509073973e+03 1.898141541e+03 1.28 6.050236430e+02 1.308983540e+03 1.647962079e+03 1.30 5.266774726e+02 1.138189397e+03 1.434443702e+03 1.32 4.594014005e+02 9.922137174e+02 1.251418598e+03 1.34 4.014888178e+02 8.671743684e+02 1.093966756e+03 1.36 3.515252151e+02 7.597122160e+02 9.581831363e+02 1.38 3.083314647e+02 6.670120455e+02 8.408208198e+02 1.40 2.709411208e+02 5.867598934e+02 7.391755496e+02 1.42 2.385432286e+02 5.170911978e+02 6.509836217e+02 1.44 2.104579897e+02 4.564712741e+02 5.743359391e+02 1.46 1.861066320e+02 4.036089259e+02 5.076359344e+02 1.48 1.649829520e+02 3.574138127e+02 4.495404037e+02 1.50 1.466108808e+02 3.169629289e+02 3.989008944e+02 1.52 1.305494400e+02 2.814717119e+02 3.547042619e+02 1.54 1.164434754e+02 2.502741049e+02 3.160264086e+02 1.56 1.040248605e+02 2.228060570e+02 2.820431059e+02 1.58 9.307276004e+01 1.985879204e+02 2.520923589e+02 1.60 8.339570067e+01 1.772115759e+02 2.256433944e+02 1.62 7.482966439e+01 1.583291221e+02 2.022439004e+02 1.64 6.723331969e+01 1.416431849e+02 1.815053668e+02 1.66 6.047959778e+01 1.268946432e+02 1.630936107e+02 1.68 5.446806207e+01 1.138554194e+02 1.467210124e+02 1.70 4.910876275e+01 1.023298562e+02 1.321398069e+02 1.72 4.432532357e+01 9.214130344e+01 1.191358258e+02 1.74 4.005205015e+01 8.313087298e+01 1.075233568e+02 1.76 3.623059137e+01 7.516071655e+01 9.713561378e+01 1.78 3.281195783e+01 6.810481110e+01 8.783310713e+01 1.80 2.975310557e+01 6.183728502e+01 7.949682566e+01 1.82 2.702351368e+01 5.624094998e+01 7.202391674e+01 1.84 2.459158185e+01 5.122683701e+01 6.532550247e+01 1.86 2.242909017e+01 4.672532547e+01 5.932443942e+01 1.88 2.050819199e+01 4.267736770e+01 5.395354262e+01 1.90 1.879878041e+01 3.903254315e+01 4.915366176e+01 1.92 1.726898752e+01 3.574654039e+01 4.486683503e+01 1.94 1.589158613e+01 3.278036496e+01 4.104052811e+01 1.96 1.464703026e+01 3.009965640e+01 3.762511802e+01 1.98 1.351747595e+01 2.767409866e+01 3.456768149e+01 2.00 1.249194186e+01 2.547691030e+01 3.181389659e+01 2.02 1.155899612e+01 2.348449765e+01 2.931888173e+01 2.04 1.070808878e+01 2.167596891e+01 2.705248080e+01 2.06 9.930887794e+00 2.003271229e+01 2.499110254e+01 2.08 9.220005330e+00 1.853820615e+01 2.311394008e+01 2.10 8.568883461e+00 1.717776744e+01 2.140250455e+01 2.12 7.971694666e+00 1.593833238e+01 1.984034843e+01 2.14 7.421861314e+00 1.480547766e+01 1.841212715e+01 2.16 6.913036264e+00 1.376536597e+01 1.710391618e+01 2.18 6.441197187e+00 1.280892078e+01 1.590410657e+01 2.20 6.002457512e+00 1.192805800e+01 1.480233299e+01 2.22 5.591421013e+00 1.111555993e+01 1.378932831e+01 2.24 5.205654167e+00 1.036497697e+01 1.285679903e+01 2.26 4.846003901e+00 9.670541359e+00 1.199731567e+01 2.28 4.510547986e+00 9.027091275e+00 1.120425799e+01 2.30 4.197211022e+00 8.430004009e+00 1.047180551e+01 2.32 3.904134967e+00 7.875137127e+00 9.794591044e+00 2.34 3.629655716e+00 7.358811317e+00 9.167772596e+00 2.36 3.372282462e+00 6.877760812e+00 8.586992120e+00 2.38 3.130679460e+00 6.428992140e+00 8.048323760e+00 2.40 2.903649929e+00 6.009848139e+00 7.548228009e+00 2.42 2.690121797e+00 5.617978845e+00 7.083511098e+00 2.44 2.489135084e+00 5.251214099e+00 6.651288958e+00 2.46 2.299830700e+00 4.907603882e+00 6.248733471e+00 2.48 2.121440491e+00 4.585398384e+00 5.872301463e+00 2.50 1.953278357e+00 4.283028302e+00 5.519721288e+00 2.52 1.794732302e+00 3.999087257e+00 5.189103765e+00 2.54 1.645257291e+00 3.732316069e+00 4.878739712e+00 2.56 1.504365276e+00 3.481588622e+00 4.587082149e+00 2.58 1.370999342e+00 3.245899092e+00 4.312730418e+00 2.60 1.244335894e+00 3.024345344e+00 4.054416023e+00 2.62 1.124071272e+00 2.815502881e+00 3.810989972e+00 2.64 1.011160569e+00 2.618245572e+00 3.581411473e+00 2.66 9.062659418e-01 2.431967957e+00 3.364737817e+00 2.68 8.091223304e-01 2.256133213e+00 3.160115330e+00 2.70 7.191422500e-01 2.090264306e+00 2.966799027e+00 2.72 6.354862540e-01 1.933935126e+00 2.784138150e+00 2.74 5.579625454e-01 1.786761489e+00 2.611497838e+00 2.76 4.864020884e-01 1.648391826e+00 2.448303576e+00 2.78 4.206391830e-01 1.518497512e+00 2.294036962e+00 2.80 3.605052622e-01 1.396762761e+00 2.148230888e+00 2.82 3.058225017e-01 1.282874099e+00 2.010465164e+00 2.84 2.563974906e-01 1.176509498e+00 1.880362519e+00 2.86 2.120153929e-01 1.077327259e+00 1.757584915e+00 2.88 1.724352545e-01 9.849548488e-01 1.641830132e+00 2.90 1.373873672e-01 8.989781290e-01 1.532828559e+00 2.92 1.065738350e-01 8.189324212e-01 1.430340137e+00 2.94 7.967358824e-02 7.442994268e-01 1.334151405e+00 2.96 5.635285790e-02 6.745192152e-01 1.244072603e+00 2.98 3.628127364e-02 6.090317043e-01 1.159934757e+00 3.00 1.915203179e-02 5.473538644e-01 1.081586713e+00 3.02 4.301631489e-03 4.891660261e-01 1.008091253e+00 3.04 -8.863973817e-03 4.342933843e-01 9.385469266e-01 3.06 -2.047476707e-02 3.826120688e-01 8.728725054e-01 3.08 -3.061675845e-02 3.340114957e-01 8.109901424e-01 3.10 -3.935181563e-02 2.883870271e-01 7.528214846e-01 3.12 -4.673220176e-02 2.456382470e-01 6.982835551e-01 3.14 -5.280605775e-02 2.056705186e-01 6.472844591e-01 3.16 -5.761846382e-02 1.684286229e-01 5.997190335e-01 3.18 -6.121172236e-02 1.338259094e-01 5.554646380e-01 3.20 -6.362558271e-02 1.017604484e-01 5.143773949e-01 3.22 -6.518690843e-02 7.212731723e-02 4.762893046e-01 3.24 -6.693828598e-02 4.481790692e-02 4.410068022e-01 3.26 -6.897355445e-02 1.971984705e-02 4.083114343e-01 3.28 -7.129580760e-02 -3.282254187e-03 3.779633787e-01 3.30 -7.390717621e-02 -2.430508401e-02 3.497084234e-01 3.32 -7.680893341e-02 -4.346385127e-02 3.232886331e-01 3.34 -7.988396640e-02 -6.086861935e-02 2.984561567e-01 3.36 -8.263665143e-02 -7.662023760e-02 2.749884173e-01 3.38 -8.502308453e-02 -9.080676026e-02 2.527015051e-01 3.40 -8.705569257e-02 -1.035014996e-01 2.314576677e-01 3.42 -8.874607356e-02 -1.147636362e-01 2.111635931e-01 3.44 -9.010506559e-02 -1.246413326e-01 1.917596839e-01 3.46 -9.114280968e-02 -1.331759021e-01 1.732055148e-01 3.48 -9.193309820e-02 -1.404050330e-01 1.554837704e-01 3.50 -9.261753682e-02 -1.463642525e-01 1.385957972e-01 3.52 -9.320473784e-02 -1.510873331e-01 1.225133083e-01 3.54 -9.369861696e-02 -1.546064333e-01 1.072087824e-01 3.56 -9.410273779e-02 -1.569522084e-01 9.265634815e-02 3.58 -9.442034458e-02 -1.581539116e-01 7.883166153e-02 3.60 -9.465439203e-02 -1.582394869e-01 6.571179226e-02 3.62 -9.480757230e-02 -1.572356556e-01 5.327511994e-02 3.64 -9.488233971e-02 -1.551679953e-01 4.150123831e-02 3.66 -9.488093309e-02 -1.520610133e-01 3.037086719e-02 3.68 -9.480539615e-02 -1.479828388e-01 1.986577136e-02 3.70 -9.465759606e-02 -1.437078485e-01 9.968685969e-03 3.72 -9.443924020e-02 -1.395115931e-01 6.632477253e-04 3.74 -9.415189158e-02 -1.353955218e-01 -8.066068489e-03 3.76 -9.379698268e-02 -1.313607570e-01 -1.623400806e-02 3.78 -9.337582817e-02 -1.274081267e-01 -2.385459052e-02 3.80 -9.288963637e-02 -1.235381942e-01 -3.094115933e-02 3.82 -9.233951972e-02 -1.197512849e-01 -3.750642776e-02 3.84 -9.172650428e-02 -1.160475109e-01 -4.356252131e-02 3.86 -9.105153832e-02 -1.124267937e-01 -4.912101683e-02 3.88 -9.031550019e-02 -1.088888843e-01 -5.419297881e-02 3.90 -8.951920540e-02 -1.054333818e-01 -5.878899277e-02 3.92 -8.866341304e-02 -1.020597508e-01 -6.291919625e-02 3.94 -8.774883168e-02 -9.876733631e-02 -6.659330748e-02 3.96 -8.677612460e-02 -9.555537831e-02 -6.982065186e-02 3.98 -8.574591465e-02 -9.242302413e-02 -7.261018656e-02 4.00 -8.465878853e-02 -8.936934032e-02 -7.497052324e-02 4.02 -8.351530076e-02 -8.639332317e-02 -7.690994917e-02 4.04 -8.231597723e-02 -8.349390833e-02 -7.843644679e-02 4.06 -8.106131838e-02 -8.066997952e-02 -7.955771184e-02 4.08 -7.975180214e-02 -7.792037645e-02 -8.028117020e-02 4.10 -7.838788649e-02 -7.524390198e-02 -8.061399356e-02 4.12 -7.697001186e-02 -7.263932862e-02 -8.056311389e-02 4.14 -7.549860321e-02 -7.010540441e-02 -8.013523703e-02 4.16 -7.397407198e-02 -6.764085821e-02 -7.933685513e-02 4.18 -7.239681774e-02 -6.524440449e-02 -7.817425844e-02 4.20 -7.076722977e-02 -6.291474766e-02 -7.665354610e-02 4.22 -6.908568839e-02 -6.065058593e-02 -7.478063632e-02 4.24 -6.735256624e-02 -5.845061481e-02 -7.256127575e-02 4.26 -6.556822931e-02 -5.631353021e-02 -7.015231953e-02 4.28 -6.373303794e-02 -5.423803129e-02 -6.780224365e-02 4.30 -6.184734770e-02 -5.222282288e-02 -6.551345775e-02 4.32 -5.991151010e-02 -5.026661777e-02 -6.328484220e-02 4.34 -5.792587332e-02 -4.836813862e-02 -6.111527084e-02 4.36 -5.589078278e-02 -4.652611975e-02 -5.900361397e-02 4.38 -5.380658163e-02 -4.473930863e-02 -5.694874106e-02 4.40 -5.167361124e-02 -4.300646724e-02 -5.494952310e-02 4.42 -4.949221158e-02 -4.132637326e-02 -5.300483481e-02 4.44 -4.726272156e-02 -3.969782106e-02 -5.111355654e-02 4.46 -4.498547929e-02 -3.811962255e-02 -4.927457598e-02 4.48 -4.266082236e-02 -3.659060796e-02 -4.748678974e-02 4.50 -4.028908804e-02 -3.510962646e-02 -4.574910465e-02 4.52 -3.787061344e-02 -3.367554664e-02 -4.406043899e-02 4.54 -3.540573564e-02 -3.228725696e-02 -4.241972352e-02 4.56 -3.289479183e-02 -3.094366608e-02 -4.082590242e-02 4.58 -3.033811934e-02 -2.964370310e-02 -3.927793405e-02 4.60 -2.773605578e-02 -2.838631774e-02 -3.777479169e-02 4.62 -2.508893902e-02 -2.717048048e-02 -3.631546408e-02 4.64 -2.239710721e-02 -2.599518259e-02 -3.489895593e-02 4.66 -1.966089884e-02 -2.485943615e-02 -3.352428832e-02 4.68 -1.688065271e-02 -2.376227403e-02 -3.219049907e-02 4.70 -1.405670788e-02 -2.270274978e-02 -3.089664295e-02 4.72 -1.118940370e-02 -2.167993750e-02 -2.964179194e-02 4.74 -8.279079721e-03 -2.069293175e-02 -2.842503534e-02 4.76 -5.326075690e-03 -1.974084731e-02 -2.724547988e-02 4.78 -2.330731475e-03 -1.882281900e-02 -2.610224978e-02 4.80 7.066129858e-04 -1.793800144e-02 -2.499448673e-02 4.82 3.785617742e-03 -1.708556883e-02 -2.392134991e-02 4.84 6.905942902e-03 -1.626471466e-02 -2.288201588e-02 4.86 1.006724870e-02 -1.547465141e-02 -2.187567851e-02 4.88 1.326919556e-02 -1.471461032e-02 -2.090154888e-02 4.90 1.651105219e-02 -1.398384102e-02 -1.995885511e-02 4.92 1.962811335e-02 -1.328161126e-02 -1.904684221e-02 4.94 2.248798725e-02 -1.260720659e-02 -1.816477190e-02 4.96 2.509442780e-02 -1.195992998e-02 -1.731192241e-02 4.98 2.745111913e-02 -1.133910160e-02 -1.648758828e-02 5.00 2.956167716e-02 -1.074405835e-02 -1.569108012e-02 5.02 3.142965121e-02 -1.017415366e-02 -1.492172438e-02 5.04 3.305852544e-02 -9.628757038e-03 -1.417886311e-02 5.06 3.445172034e-02 -9.107253819e-03 -1.346185372e-02 5.08 3.561259415e-02 -8.609044779e-03 -1.277006869e-02 5.10 3.654444425e-02 -8.133545819e-03 -1.210289534e-02 5.12 3.725050852e-02 -7.680187630e-03 -1.145973556e-02 5.14 3.773396665e-02 -7.248415359e-03 -1.084000553e-02 5.16 3.799794146e-02 -6.837688284e-03 -1.024313543e-02 5.18 3.804550010e-02 -6.447479485e-03 -9.668569210e-03 5.20 3.787965531e-02 -6.077176189e-03 -9.115764283e-03 5.22 3.750336659e-02 -5.722794174e-03 -8.584191262e-03 5.24 3.691954138e-02 -5.382222455e-03 -8.073333682e-03 5.26 3.613103618e-02 -5.055125156e-03 -7.582687734e-03 5.28 3.514065765e-02 -4.741174658e-03 -7.111761986e-03 5.30 3.395116368e-02 -4.440051413e-03 -6.660077119e-03 5.32 3.256526446e-02 -4.151443771e-03 -6.227165656e-03 5.34 3.098562348e-02 -3.875047800e-03 -5.812571701e-03 5.36 2.921485852e-02 -3.610567116e-03 -5.415850674e-03 5.38 2.731428789e-02 -3.357712704e-03 -5.036569055e-03 5.40 2.547237900e-02 -3.116202753e-03 -4.674304130e-03 5.42 2.370230013e-02 -2.885762489e-03 -4.328643733e-03 5.44 2.200315681e-02 -2.666124005e-03 -3.999186007e-03 5.46 2.037406885e-02 -2.457026101e-03 -3.685539152e-03 5.48 1.881417003e-02 -2.258214127e-03 -3.387321191e-03 5.50 1.732260785e-02 -2.069439820e-03 -3.104159729e-03 5.52 1.589854320e-02 -1.890461152e-03 -2.835691728e-03 5.54 1.454115015e-02 -1.721042181e-03 -2.581563272e-03 5.56 1.324961566e-02 -1.560952899e-03 -2.341429348e-03 5.58 1.202313930e-02 -1.409969084e-03 -2.114953626e-03 5.60 1.086093305e-02 -1.267872164e-03 -1.901808246e-03 5.62 9.762221013e-03 -1.134449071e-03 -1.701673606e-03 5.64 8.726239191e-03 -1.009492104e-03 -1.514238155e-03 5.66 7.752235264e-03 -8.927987975e-04 -1.339198196e-03 5.68 6.839468351e-03 -7.841717892e-04 -1.176257684e-03 5.70 5.987208795e-03 -6.834186896e-04 -1.025128034e-03 5.72 5.194737944e-03 -5.903519581e-04 -8.855279371e-04 5.74 4.461347945e-03 -5.047887792e-04 -7.571831687e-04 5.76 3.786341535e-03 -4.265509426e-04 -6.398264140e-04 5.78 3.169031842e-03 -3.554647262e-04 -5.331970894e-04 5.80 2.608742191e-03 -2.913607808e-04 -4.370411712e-04 5.82 2.104805912e-03 -2.340740186e-04 -3.511110279e-04 5.84 1.656566150e-03 -1.834435037e-04 -2.751652555e-04 5.86 1.263375691e-03 -1.393123455e-04 -2.089685183e-04 5.88 9.245967755e-04 -1.015275948e-04 -1.522913922e-04 5.90 6.396009303e-04 -6.994014194e-05 -1.049102129e-04 5.92 4.077687959e-04 -4.440461772e-05 -6.660692658e-05 5.94 2.284899617e-04 -2.477929699e-05 -3.716894548e-05 5.96 1.011628033e-04 -1.092600423e-05 -1.638900634e-05 5.98 2.519432406e-05 -2.710021730e-06 -4.065032595e-06 6.00 9.992007222e-17 4.166111900e-17 1.232347557e-16