# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Jeong-G-U-Park-C-S-Do-H-S-et-al--Pd-Mo # implementation = 2018--Jeong-G-U--Pd-Mo--LAMMPS--ipr1 # composition = MoPd3 # 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 1.637000107e+03 nan nan 0.86 1.515692213e+03 nan nan 0.88 1.403062486e+03 nan nan 0.90 1.298505179e+03 nan nan 0.92 1.201455977e+03 1.303052469e+03 nan 0.94 1.111389217e+03 1.215872151e+03 1.565931405e+03 0.96 1.027815289e+03 1.134256522e+03 1.463786096e+03 0.98 9.502782041e+02 1.057862950e+03 1.368003433e+03 1.00 8.783533325e+02 9.863692153e+02 1.278201146e+03 1.02 8.116452839e+02 9.194723413e+02 1.194019191e+03 1.04 7.497859322e+02 8.568874781e+02 1.115118495e+03 1.06 6.924325711e+02 7.983468552e+02 1.041179779e+03 1.08 6.392661914e+02 7.435987900e+02 9.719024327e+02 1.10 5.899898735e+02 6.924067525e+02 9.070034646e+02 1.12 5.443272875e+02 6.445484826e+02 8.462164972e+02 1.14 5.020212923e+02 5.998151567e+02 7.892908249e+02 1.16 4.628326297e+02 5.580106015e+02 7.359905215e+02 1.18 4.265387044e+02 5.189505521e+02 6.860935958e+02 1.20 3.929324469e+02 4.824619524e+02 6.393911960e+02 1.22 3.618212518e+02 4.483822950e+02 5.956868560e+02 1.24 3.330259879e+02 4.165589984e+02 5.547957847e+02 1.26 3.063800747e+02 3.868488207e+02 5.165441947e+02 1.28 2.817286209e+02 3.591173056e+02 4.807686679e+02 1.30 2.589276208e+02 3.332382608e+02 4.473155564e+02 1.32 2.378432056e+02 3.090932667e+02 4.160404181e+02 1.34 2.183509444e+02 2.865712122e+02 3.868074819e+02 1.36 2.003351930e+02 2.655678589e+02 3.594891448e+02 1.38 1.836884870e+02 2.459854290e+02 3.339654961e+02 1.40 1.683109749e+02 2.277322178e+02 3.101238689e+02 1.42 1.541098912e+02 2.107222290e+02 2.878584167e+02 1.44 1.409990645e+02 1.948748301e+02 2.670697140e+02 1.46 1.288984587e+02 1.801144295e+02 2.476643797e+02 1.48 1.177337466e+02 1.663701707e+02 2.295547218e+02 1.50 1.074359114e+02 1.535756461e+02 2.126584020e+02 1.52 9.794087612e+01 1.416686260e+02 1.968981198e+02 1.54 8.918915841e+01 1.305908052e+02 1.822013149e+02 1.56 8.112554852e+01 1.202875627e+02 1.684998855e+02 1.58 7.369880978e+01 1.107077374e+02 1.557299242e+02 1.60 6.686139951e+01 1.018034157e+02 1.438314684e+02 1.62 6.056920915e+01 9.352973230e+01 1.327482643e+02 1.64 5.478132225e+01 8.584468289e+01 1.224275463e+02 1.66 4.945978921e+01 7.870894778e+01 1.128198274e+02 1.68 4.456941754e+01 7.208572608e+01 1.038787029e+02 1.70 4.007757665e+01 6.594057987e+01 9.556066495e+01 1.72 3.595401614e+01 6.024128770e+01 8.782492786e+01 1.74 3.217069674e+01 5.495770682e+01 8.063326400e+01 1.76 2.870163293e+01 5.006164374e+01 7.394984885e+01 1.78 2.552274658e+01 4.552673260e+01 6.774111538e+01 1.80 2.261173073e+01 4.132832089e+01 6.197561684e+01 1.82 1.994792293e+01 3.744336203e+01 5.662389766e+01 1.84 1.751218737e+01 3.385031452e+01 5.165837194e+01 1.86 1.528680530e+01 3.052904723e+01 4.705320913e+01 1.88 1.325537316e+01 2.746075039e+01 4.278422639e+01 1.90 1.140270780e+01 2.462785211e+01 3.882878747e+01 1.92 9.714758371e+00 2.201393987e+01 3.516570740e+01 1.94 8.178524505e+00 1.960368697e+01 3.177516303e+01 1.96 6.781980156e+00 1.738278340e+01 2.863860879e+01 1.98 5.514002898e+00 1.533787097e+01 2.573869753e+01 2.00 4.364308191e+00 1.345648249e+01 2.305920606e+01 2.02 3.323388327e+00 1.172698466e+01 2.058496517e+01 2.04 2.382455696e+00 1.013852448e+01 1.830179391e+01 2.06 1.533390098e+00 8.680979095e+00 1.619643773e+01 2.08 7.686898029e-01 7.344908601e+00 1.425651042e+01 2.10 8.142610479e-02 6.121511912e+00 1.247043956e+01 2.12 -5.347988718e-01 5.002585332e+00 1.082741524e+01 2.14 -1.085891350e+00 3.980483726e+00 9.317341914e+00 2.16 -1.577302262e+00 3.048084129e+00 7.930793206e+00 2.18 -2.014061002e+00 2.198751639e+00 6.658969442e+00 2.20 -2.400806742e+00 1.426307465e+00 5.493657789e+00 2.22 -2.741817502e+00 7.249989783e-01 4.427194840e+00 2.24 -3.041037103e+00 8.947167207e-02 3.452431494e+00 2.26 -3.302100183e+00 -4.852571104e-01 2.562699996e+00 2.28 -3.528355390e+00 -1.003822776e+00 1.751783012e+00 2.30 -3.722886893e+00 -1.470536516e+00 1.013884617e+00 2.32 -3.888534328e+00 -1.889406867e+00 3.436030786e-01 2.34 -4.027911287e+00 -2.264159900e+00 -2.640946705e-01 2.36 -4.143422455e+00 -2.598258110e+00 -8.138969665e-01 2.38 -4.237279498e+00 -2.894918092e+00 -1.310169858e+00 2.40 -4.311515775e+00 -3.157127080e+00 -1.756978147e+00 2.42 -4.367999981e+00 -3.387658422e+00 -2.158105107e+00 2.44 -4.408448773e+00 -3.589086045e+00 -2.517070966e+00 2.46 -4.434438473e+00 -3.763797992e+00 -2.837150223e+00 2.48 -4.447415900e+00 -3.914009073e+00 -3.121387871e+00 2.50 -4.448708403e+00 -4.041772691e+00 -3.372614597e+00 2.52 -4.439533141e+00 -4.148991901e+00 -3.593461010e+00 2.54 -4.421005687e+00 -4.237429742e+00 -3.786370973e+00 2.56 -4.394147971e+00 -4.308718888e+00 -3.953614075e+00 2.58 -4.359895644e+00 -4.364370668e+00 -4.097297319e+00 2.60 -4.319104886e+00 -4.405783491e+00 -4.219376043e+00 2.62 -4.272558698e+00 -4.434250713e+00 -4.321664157e+00 2.64 -4.220972723e+00 -4.450967980e+00 -4.405843710e+00 2.66 -4.165000632e+00 -4.457040088e+00 -4.473473840e+00 2.68 -4.105239095e+00 -4.453487383e+00 -4.525999150e+00 2.70 -4.042232377e+00 -4.441251732e+00 -4.564757532e+00 2.72 -3.976476590e+00 -4.421202099e+00 -4.590987488e+00 2.74 -3.908423609e+00 -4.394139740e+00 -4.605834969e+00 2.76 -3.838484698e+00 -4.360803058e+00 -4.610359770e+00 2.78 -3.767033853e+00 -4.321872116e+00 -4.605541502e+00 2.80 -3.694410888e+00 -4.277972858e+00 -4.592285170e+00 2.82 -3.620924278e+00 -4.229681036e+00 -4.571426388e+00 2.84 -3.546853788e+00 -4.177525875e+00 -4.543736240e+00 2.86 -3.472452889e+00 -4.121993477e+00 -4.509925829e+00 2.88 -3.397950988e+00 -4.063530009e+00 -4.470650512e+00 2.90 -3.323555478e+00 -4.002544654e+00 -4.426513859e+00 2.92 -3.249453626e+00 -3.939412373e+00 -4.378071345e+00 2.94 -3.175814307e+00 -3.874476467e+00 -4.325833793e+00 2.96 -3.102789593e+00 -3.808050967e+00 -4.270270587e+00 2.98 -3.030516218e+00 -3.740422852e+00 -4.211812661e+00 3.00 -2.959116906e+00 -3.671854122e+00 -4.150855295e+00 3.02 -2.888701595e+00 -3.602583711e+00 -4.087760712e+00 3.04 -2.819368545e+00 -3.532829284e+00 -4.022860504e+00 3.06 -2.751205341e+00 -3.462788886e+00 -3.956457886e+00 3.08 -2.684289802e+00 -3.392642494e+00 -3.888829798e+00 3.10 -2.618690795e+00 -3.322553445e+00 -3.820228863e+00 3.12 -2.554468953e+00 -3.252669768e+00 -3.750885203e+00 3.14 -2.491677310e+00 -3.183125416e+00 -3.681007791e+00 3.16 -2.430361841e+00 -3.114041412e+00 -3.610785216e+00 3.18 -2.370561923e+00 -3.045526910e+00 -3.540390336e+00 3.20 -2.312310696e+00 -2.977680175e+00 -3.469984120e+00 3.22 -2.255635337e+00 -2.910589495e+00 -3.399703729e+00 3.24 -2.200557244e+00 -2.844334017e+00 -3.329675933e+00 3.26 -2.147092111e+00 -2.778984528e+00 -3.260014713e+00 3.28 -2.095249902e+00 -2.714604163e+00 -3.190822196e+00 3.30 -2.045034718e+00 -2.651249067e+00 -3.122189602e+00 3.32 -1.996444542e+00 -2.588968993e+00 -3.054198119e+00 3.34 -1.949470869e+00 -2.527807857e+00 -2.986919709e+00 3.36 -1.904098212e+00 -2.467804235e+00 -2.920417862e+00 3.38 -1.860303490e+00 -2.408991813e+00 -2.854748294e+00 3.40 -1.818055314e+00 -2.351399799e+00 -2.789959589e+00 3.42 -1.777313183e+00 -2.295053275e+00 -2.726093800e+00 3.44 -1.738026635e+00 -2.239973513e+00 -2.663187001e+00 3.46 -1.700134407e+00 -2.186178239e+00 -2.601269798e+00 3.48 -1.663563683e+00 -2.133681851e+00 -2.540367807e+00 3.50 -1.628229540e+00 -2.082495583e+00 -2.480502086e+00 3.52 -1.594034731e+00 -2.032627627e+00 -2.421689547e+00 3.54 -1.560869961e+00 -1.984083181e+00 -2.363943321e+00 3.56 -1.528614844e+00 -1.936864453e+00 -2.307273115e+00 3.58 -1.497139712e+00 -1.890970591e+00 -2.251685518e+00 3.60 -1.466317034e+00 -1.846397540e+00 -2.197184306e+00 3.62 -1.437168103e+00 -1.803137829e+00 -2.143770705e+00 3.64 -1.401010352e+00 -1.761180275e+00 -2.091443645e+00 3.66 -1.276037455e+00 -1.720509598e+00 -2.040199990e+00 3.68 -1.176153829e+00 -1.681105958e+00 -1.990034745e+00 3.70 -1.143586268e+00 -1.642944412e+00 -1.940941256e+00 3.72 -1.111789538e+00 -1.605994303e+00 -1.892911385e+00 3.74 -1.080753557e+00 -1.570218605e+00 -1.845935677e+00 3.76 -1.050467721e+00 -1.535573275e+00 -1.800003508e+00 3.78 -1.020920963e+00 -1.502006640e+00 -1.755103222e+00 3.80 -9.921018296e-01 -1.469458924e+00 -1.711222262e+00 3.82 -9.639985350e-01 -1.437834238e+00 -1.668347283e+00 3.84 -9.365990170e-01 -1.404636925e+00 -1.626464256e+00 3.86 -9.098909874e-01 -1.358740769e+00 -1.585558566e+00 3.88 -8.838619772e-01 -1.288907426e+00 -1.545615103e+00 3.90 -8.584993782e-01 -1.230952039e+00 -1.506618338e+00 3.92 -8.337904810e-01 -1.204712094e+00 -1.468552397e+00 3.94 -8.097175467e-01 -1.178704953e+00 -1.431401129e+00 3.96 -7.821144390e-01 -1.152861469e+00 -1.395148166e+00 3.98 -7.202443073e-01 -1.127129963e+00 -1.359776976e+00 4.00 -5.699492784e-01 -1.101479061e+00 -1.325270912e+00 4.02 -2.675779269e-01 -1.075898979e+00 -1.291613260e+00 4.04 -2.303059575e-01 -1.050400984e+00 -1.258787275e+00 4.06 -2.232505536e-01 -1.025014973e+00 -1.226776219e+00 4.08 -2.164070973e-01 -9.997854736e-01 -1.195563395e+00 4.10 -2.097694566e-01 -9.747665812e-01 -1.165132171e+00 4.12 -2.033316540e-01 -9.500165224e-01 -1.135466010e+00 4.14 -1.970878652e-01 -9.255925500e-01 -1.106548491e+00 4.16 -1.910324175e-01 -9.015467483e-01 -1.078363330e+00 4.18 -1.851597871e-01 -8.779231154e-01 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