# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2022--Chrobak-D-Majtyka-Pilat-A-Ziolkowski-G-Chrobak-A--In-P # implementation = 2022--Chrobak-D--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 2024-11-27 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 1.296446006e+03 nan nan 0.74 1.175340595e+03 nan nan 0.76 1.066801451e+03 nan nan 0.78 9.703421249e+02 1.328694748e+03 nan 0.80 8.835378894e+02 1.212808246e+03 nan 0.82 8.062243242e+02 1.109053643e+03 1.229859877e+03 0.84 7.364555114e+02 1.016380681e+03 1.127423565e+03 0.86 6.733320382e+02 9.321884037e+02 1.034241007e+03 0.88 6.167211440e+02 8.559093864e+02 9.504732744e+02 0.90 5.649346126e+02 7.873201789e+02 8.744747231e+02 0.92 5.178895489e+02 7.249959663e+02 8.045810763e+02 0.94 4.756818113e+02 6.680052905e+02 7.415419964e+02 0.96 4.372773847e+02 6.152720697e+02 6.845853313e+02 0.98 4.018551640e+02 5.673530332e+02 6.323587168e+02 1.00 3.695675149e+02 5.243301006e+02 5.844618857e+02 1.02 3.404092738e+02 4.849543832e+02 5.407581745e+02 1.04 3.137578163e+02 4.487846852e+02 5.008803523e+02 1.06 2.892606046e+02 4.155068359e+02 4.641960177e+02 1.08 2.666681235e+02 3.847551372e+02 4.303166800e+02 1.10 2.459667722e+02 3.562630164e+02 3.987833899e+02 1.12 2.270236084e+02 3.301666142e+02 3.698241769e+02 1.14 2.095766940e+02 3.063810139e+02 3.434787774e+02 1.16 1.935043330e+02 2.844229361e+02 3.191765549e+02 1.18 1.787374071e+02 2.641023362e+02 2.966793829e+02 1.20 1.650585015e+02 2.453326997e+02 2.758812037e+02 1.22 1.521442897e+02 2.279400294e+02 2.565053766e+02 1.24 1.402062890e+02 2.117765459e+02 2.381268585e+02 1.26 1.293998863e+02 1.966638489e+02 2.210849017e+02 1.28 1.195721243e+02 1.825227337e+02 2.056173926e+02 1.30 1.104898891e+02 1.692829293e+02 1.914978986e+02 1.32 1.021123047e+02 1.571092842e+02 1.783117539e+02 1.34 9.435881810e+01 1.459574477e+02 1.660405243e+02 1.36 8.717094300e+01 1.357215374e+02 1.546714395e+02 1.38 8.050605106e+01 1.261884214e+02 1.441178492e+02 1.40 7.432157502e+01 1.173265331e+02 1.342767416e+02 1.42 6.846164450e+01 1.090993120e+02 1.250845229e+02 1.44 6.294085315e+01 1.014650121e+02 1.164858532e+02 1.46 5.785259802e+01 9.435170592e+01 1.083199243e+02 1.48 5.319622501e+01 8.771614139e+01 1.006045190e+02 1.50 4.892636216e+01 8.151638826e+01 9.342543730e+01 1.52 4.496727575e+01 7.572806357e+01 8.684335496e+01 1.54 4.132071575e+01 7.033168805e+01 8.078770726e+01 1.56 3.796279581e+01 6.530518531e+01 7.516702460e+01 1.58 3.484966067e+01 6.061809584e+01 6.992238340e+01 1.60 3.196745440e+01 5.624306473e+01 6.503643033e+01 1.62 2.930131405e+01 5.213357906e+01 6.048847025e+01 1.64 2.682680632e+01 4.826563851e+01 5.623805130e+01 1.66 2.452917430e+01 4.465277123e+01 5.226281639e+01 1.68 2.239367792e+01 4.128666418e+01 4.854477829e+01 1.70 2.036861042e+01 3.807561474e+01 4.506718238e+01 1.72 1.843478156e+01 3.503628424e+01 4.180578129e+01 1.74 1.660310756e+01 3.221182340e+01 3.874435042e+01 1.76 1.490447759e+01 2.964099826e+01 3.587979463e+01 1.78 1.337427769e+01 2.732291295e+01 3.320843427e+01 1.80 1.198257611e+01 2.512879079e+01 3.072302310e+01 1.82 1.067046028e+01 2.300723142e+01 2.840497962e+01 1.84 9.445140266e+00 2.097017207e+01 2.623700110e+01 1.86 8.326315767e+00 1.905137392e+01 2.418941305e+01 1.88 7.324959225e+00 1.730513181e+01 2.220024925e+01 1.90 6.432415705e+00 1.577348362e+01 2.030760979e+01 1.92 5.621914201e+00 1.439159136e+01 1.855207138e+01 1.94 4.884339745e+00 1.310182091e+01 1.695607540e+01 1.96 4.202968921e+00 1.189840898e+01 1.552047207e+01 1.98 3.573603685e+00 1.077594588e+01 1.420508943e+01 2.00 2.992693765e+00 9.729353828e+00 1.296037471e+01 2.02 2.456922123e+00 8.753866774e+00 1.178692652e+01 2.04 1.963189861e+00 7.845011301e+00 1.068809178e+01 2.06 1.508602103e+00 6.998588787e+00 9.667136023e+00 2.08 1.090454788e+00 6.210658616e+00 8.704984873e+00 2.10 7.062223064e-01 5.473372768e+00 7.785205345e+00 2.12 3.535459327e-01 4.779871733e+00 6.901859405e+00 2.14 3.022300715e-02 4.130149717e+00 6.065005383e+00 2.16 -2.658031917e-01 3.525055319e+00 5.291128042e+00 2.18 -5.364529200e-01 2.968308596e+00 4.598674465e+00 2.20 -7.835188327e-01 2.464035605e+00 3.994100994e+00 2.22 -1.008674276e+00 2.006789352e+00 3.439528046e+00 2.24 -1.213481047e+00 1.583638011e+00 2.923342658e+00 2.26 -1.399396653e+00 1.192026778e+00 2.443186630e+00 2.28 -1.567781100e+00 8.299141992e-01 1.996840949e+00 2.30 -1.719903251e+00 4.953852624e-01 1.582217697e+00 2.32 -1.856946765e+00 1.866436824e-01 1.197352433e+00 2.34 -1.980015661e+00 -9.799534591e-02 8.403970085e-01 2.36 -2.090139519e+00 -3.601119534e-01 5.096128058e-01 2.38 -2.188278346e+00 -6.011879884e-01 2.033643592e-01 2.40 -2.275327126e+00 -8.226130203e-01 -7.988664980e-02 2.42 -2.352120082e+00 -1.025689978e+00 -3.418879972e-01 2.44 -2.419434655e+00 -1.211640445e+00 -5.837916766e-01 2.46 -2.477995235e+00 -1.381609635e+00 -8.060518127e-01 2.48 -2.528476638e+00 -1.536671060e+00 -1.009698501e+00 2.50 -2.571507372e+00 -1.677830921e+00 -1.195701071e+00 2.52 -2.607672683e+00 -1.806032228e+00 -1.364712537e+00 2.54 -2.637517406e+00 -1.922158671e+00 -1.517591593e+00 2.56 -2.661548631e+00 -2.027038251e+00 -1.656257631e+00 2.58 -2.680238198e+00 -2.121446702e+00 -1.782550386e+00 2.60 -2.694025028e+00 -2.206110689e+00 -1.897313285e+00 2.62 -2.703317306e+00 -2.281710827e+00 -2.001309965e+00 2.64 -2.708494516e+00 -2.348884505e+00 -2.095257705e+00 2.66 -2.709909351e+00 -2.408228546e+00 -2.179830145e+00 2.68 -2.707889495e+00 -2.460301698e+00 -2.255659856e+00 2.70 -2.702739291e+00 -2.505626982e+00 -2.323340754e+00 2.72 -2.694741299e+00 -2.544693890e+00 -2.383430376e+00 2.74 -2.684157751e+00 -2.577960454e+00 -2.436452030e+00 2.76 -2.671231916e+00 -2.605855184e+00 -2.482896809e+00 2.78 -2.655820001e+00 -2.628346528e+00 -2.523225497e+00 2.80 -2.625344588e+00 -2.642163498e+00 -2.557870359e+00 2.82 -2.575372911e+00 -2.646838409e+00 -2.587236833e+00 2.84 -2.511985997e+00 -2.643807250e+00 -2.611705117e+00 2.86 -2.444624847e+00 -2.635597509e+00 -2.631631667e+00 2.88 -2.364107782e+00 -2.625176081e+00 -2.647350606e+00 2.90 -2.239653156e+00 -2.614932598e+00 -2.659175056e+00 2.92 -2.060361575e+00 -2.605927487e+00 -2.667398386e+00 2.94 -1.828565390e+00 -2.598104340e+00 -2.672295388e+00 2.96 -1.559165178e+00 -2.588435508e+00 -2.674123393e+00 2.98 -1.259700626e+00 -2.570720985e+00 -2.673123306e+00 3.00 -9.316911410e-01 -2.545690956e+00 -2.669520600e+00 3.02 -6.619233497e-01 -2.515346069e+00 -2.663526233e+00 3.04 -5.612083344e-01 -2.482275676e+00 -2.655337526e+00 3.06 -5.595395498e-01 -2.449055494e+00 -2.645138979e+00 3.08 -5.580491400e-01 -2.417716210e+00 -2.633103050e+00 3.10 -5.564946215e-01 -2.389591913e+00 -2.619390877e+00 3.12 -5.548796597e-01 -2.365598619e+00 -2.604152966e+00 3.14 -5.532077478e-01 -2.343074020e+00 -2.587529834e+00 3.16 -5.514822151e-01 -2.319987279e+00 -2.569652618e+00 3.18 -5.497062341e-01 -2.296412866e+00 -2.550643645e+00 3.20 -5.478828282e-01 -2.272419921e+00 -2.530616969e+00 3.22 -5.460148780e-01 -2.233886846e+00 -2.497031899e+00 3.24 -5.441051283e-01 -2.167886020e+00 -2.437561948e+00 3.26 -5.421561941e-01 -2.077358990e+00 -2.353369032e+00 3.28 -5.401705669e-01 -1.966689562e+00 -2.247010684e+00 3.30 -5.381506199e-01 -1.840319539e+00 -2.122683945e+00 3.32 -5.360986137e-01 -1.695671339e+00 -1.985276276e+00 3.34 -5.340167017e-01 -1.520728882e+00 -1.831610413e+00 3.36 -5.319069347e-01 -1.352799094e+00 -1.644090686e+00 3.38 -5.297712657e-01 -1.237466771e+00 -1.503836610e+00 3.40 -5.276115545e-01 -1.193995631e+00 -1.453654300e+00 3.42 -5.130175859e-01 -1.165934785e+00 -1.428083040e+00 3.44 -4.748050143e-01 -1.092532360e+00 -1.361427721e+00 3.46 -4.163377337e-01 -9.779065132e-01 -1.253062859e+00 3.48 -3.429378627e-01 -8.285309453e-01 -1.101573985e+00 3.50 -2.615914850e-01 -6.533154161e-01 -9.056505213e-01 3.52 -1.803095728e-01 -4.648660498e-01 -6.698397502e-01 3.54 -1.071963739e-01 -2.825455326e-01 -4.180092560e-01 3.56 -4.946026751e-02 -1.316166005e-01 -1.969337493e-01 3.58 -1.261865573e-02 -3.364656799e-02 -5.046421029e-02 3.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.76 0.000000000e+00 0.000000000e+00 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