# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Jeong-G-U-Park-C-S-Do-H-S-et-al--Pd-Ni # implementation = 2018--Jeong-G-U--Pd-Ni--LAMMPS--ipr1 # composition = Ni3Pd # 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 7.184355009e+02 nan nan 0.86 6.636124522e+02 nan nan 0.88 6.127713048e+02 nan nan 0.90 5.656324167e+02 nan nan 0.92 5.219352529e+02 6.465324569e+02 nan 0.94 4.814371103e+02 6.009442044e+02 6.990072195e+02 0.96 4.439119262e+02 5.584132922e+02 6.515110668e+02 0.98 4.091491647e+02 5.187412488e+02 6.070752707e+02 1.00 3.769527762e+02 4.817421598e+02 5.655096811e+02 1.02 3.471402249e+02 4.472418905e+02 5.266356159e+02 1.04 3.195415805e+02 4.150773556e+02 4.902851868e+02 1.06 2.939986693e+02 3.850958338e+02 4.563006646e+02 1.08 2.703642817e+02 3.571543236e+02 4.245338801e+02 1.10 2.485014314e+02 3.311189388e+02 3.948456602e+02 1.12 2.282826640e+02 3.068643408e+02 3.671052963e+02 1.14 2.095894106e+02 2.842732051e+02 3.411900428e+02 1.16 1.923113857e+02 2.632357210e+02 3.169846457e+02 1.18 1.763460228e+02 2.436491217e+02 2.943808973e+02 1.20 1.615979499e+02 2.254172432e+02 2.732772178e+02 1.22 1.479784977e+02 2.084501101e+02 2.535782600e+02 1.24 1.354052422e+02 1.926635470e+02 2.351945381e+02 1.26 1.238015768e+02 1.779788139e+02 2.180420774e+02 1.28 1.130963135e+02 1.643222639e+02 2.020420843e+02 1.30 1.032233104e+02 1.516250220e+02 1.871206363e+02 1.32 9.412112462e+01 1.398226835e+02 1.732083893e+02 1.34 8.573268800e+01 1.288550316e+02 1.602403025e+02 1.36 7.800500502e+01 1.186657721e+02 1.481553791e+02 1.38 7.088887070e+01 1.092022843e+02 1.368964224e+02 1.40 6.433860785e+01 1.004153879e+02 1.264098063e+02 1.42 5.831182178e+01 9.225912391e+01 1.166452593e+02 1.44 5.276917181e+01 8.469054947e+01 1.075556607e+02 1.46 4.767415811e+01 7.766954528e+01 9.909684959e+01 1.48 4.299292315e+01 7.115863512e+01 9.122744466e+01 1.50 3.869406649e+01 6.512281655e+01 8.390867476e+01 1.52 3.474847232e+01 5.952940230e+01 7.710421959e+01 1.54 3.112914874e+01 5.434787153e+01 7.078005971e+01 1.56 2.781107791e+01 4.954973038e+01 6.490433559e+01 1.58 2.477107667e+01 4.510838133e+01 5.944721497e+01 1.60 2.198766650e+01 4.099900076e+01 5.438076816e+01 1.62 1.944095260e+01 3.719842418e+01 4.967885081e+01 1.64 1.711251116e+01 3.368503877e+01 4.531699365e+01 1.66 1.498528455e+01 3.043868258e+01 4.127229885e+01 1.68 1.304348355e+01 2.744055026e+01 3.752334265e+01 1.70 1.127249663e+01 2.467310462e+01 3.405008374e+01 1.72 9.658805213e+00 2.211999387e+01 3.083377727e+01 1.74 8.189905131e+00 1.976597412e+01 2.785689399e+01 1.76 6.854233316e+00 1.759683676e+01 2.510304427e+01 1.78 5.641099773e+00 1.559934056e+01 2.255690674e+01 1.80 4.540624204e+00 1.376114795e+01 2.020416125e+01 1.82 3.543677166e+00 1.207076553e+01 1.803142593e+01 1.84 2.641825282e+00 1.051748834e+01 1.602619800e+01 1.86 1.827280388e+00 9.091347618e+00 1.417679832e+01 1.88 1.092852204e+00 7.783062039e+00 1.247231919e+01 1.90 4.319044106e-01 6.583992023e+00 1.090257543e+01 1.92 -1.616862105e-01 5.486096997e+00 9.458058447e+00 1.94 -6.935676839e-01 4.481895424e+00 8.129893088e+00 1.96 -1.168948087e+00 3.564427420e+00 6.909797202e+00 1.98 -1.592628247e+00 2.727219784e+00 5.790043651e+00 2.00 -1.969032123e+00 1.964253306e+00 4.763424691e+00 2.02 -2.302234984e+00 1.269932199e+00 3.823218554e+00 2.04 -2.595989579e+00 6.390555252e-01 2.963158101e+00 2.06 -2.853750405e+00 6.679048047e-02 2.177401426e+00 2.08 -3.078696227e+00 -4.513525618e-01 1.460504293e+00 2.10 -3.273750964e+00 -9.195433822e-01 8.073942915e-01 2.12 -3.441603050e+00 -1.341653708e+00 2.133466070e-01 2.14 -3.584723396e+00 -1.721277572e+00 -3.260386837e-01 2.16 -3.705382027e+00 -2.061750335e+00 -8.148578953e-01 2.18 -3.805663505e+00 -2.366166441e+00 -1.256923674e+00 2.20 -3.887481215e+00 -2.637396008e+00 -1.655783682e+00 2.22 -3.952590603e+00 -2.878100309e+00 -2.014738093e+00 2.24 -4.002601428e+00 -3.090746227e+00 -2.336855989e+00 2.26 -4.038989113e+00 -3.277619749e+00 -2.624990705e+00 2.28 -4.063105243e+00 -3.440838555e+00 -2.881794204e+00 2.30 -4.076187289e+00 -3.582363765e+00 -3.109730527e+00 2.32 -4.079367597e+00 -3.704010899e+00 -3.311088387e+00 2.34 -4.073681704e+00 -3.807460100e+00 -3.487992956e+00 2.36 -4.060076029e+00 -3.894265667e+00 -3.642416889e+00 2.38 -4.039414985e+00 -3.965864942e+00 -3.776190639e+00 2.40 -4.012487542e+00 -4.023586602e+00 -3.891012108e+00 2.42 -3.980013304e+00 -4.068658379e+00 -3.988455667e+00 2.44 -3.942648112e+00 -4.102214258e+00 -4.069980597e+00 2.46 -3.900989224e+00 -4.125301189e+00 -4.136938972e+00 2.48 -3.855580089e+00 -4.138885331e+00 -4.190583034e+00 2.50 -3.806914765e+00 -4.143857874e+00 -4.232072079e+00 2.52 -3.755441980e+00 -4.141040459e+00 -4.262478894e+00 2.54 -3.701568893e+00 -4.131190219e+00 -4.282795772e+00 2.56 -3.645664545e+00 -4.115004483e+00 -4.293940121e+00 2.58 -3.588063056e+00 -4.093125142e+00 -4.296759714e+00 2.60 -3.529066558e+00 -4.066142716e+00 -4.292037578e+00 2.62 -3.468947900e+00 -4.034600142e+00 -4.280496564e+00 2.64 -3.407953146e+00 -3.998996286e+00 -4.262803611e+00 2.66 -3.346303862e+00 -3.959789220e+00 -4.239573718e+00 2.68 -3.284199227e+00 -3.917399263e+00 -4.211373663e+00 2.70 -3.221817975e+00 -3.872211804e+00 -4.178725450e+00 2.72 -3.159320179e+00 -3.824579934e+00 -4.142109544e+00 2.74 -3.096848887e+00 -3.774826883e+00 -4.101967869e+00 2.76 -3.034531631e+00 -3.723248284e+00 -4.058706615e+00 2.78 -2.972481810e+00 -3.670114283e+00 -4.012698842e+00 2.80 -2.910799955e+00 -3.615671487e+00 -3.964286915e+00 2.82 -2.849574897e+00 -3.560144779e+00 -3.913784762e+00 2.84 -2.788884833e+00 -3.503738998e+00 -3.861479984e+00 2.86 -2.728798303e+00 -3.446640499e+00 -3.807635815e+00 2.88 -2.669375091e+00 -3.389018602e+00 -3.752492943e+00 2.90 -2.610667038e+00 -3.331026927e+00 -3.696271210e+00 2.92 -2.552718801e+00 -3.272804638e+00 -3.639171186e+00 2.94 -2.495568534e+00 -3.214477599e+00 -3.581375639e+00 2.96 -2.439248519e+00 -3.156159431e+00 -3.523050892e+00 2.98 -2.383785739e+00 -3.097952504e+00 -3.464348096e+00 3.00 -2.329202402e+00 -3.039948849e+00 -3.405404398e+00 3.02 -2.275516418e+00 -2.982231003e+00 -3.346344038e+00 3.04 -2.222741837e+00 -2.924872789e+00 -3.287279360e+00 3.06 -2.170889245e+00 -2.867940038e+00 -3.228311752e+00 3.08 -2.119966124e+00 -2.811491260e+00 -3.169532514e+00 3.10 -2.069977187e+00 -2.755578256e+00 -3.111023673e+00 3.12 -2.020924670e+00 -2.700246690e+00 -3.052858742e+00 3.14 -1.972808612e+00 -2.645536614e+00 -2.995105151e+00 3.16 -1.925627094e+00 -2.591482953e+00 -2.937829202e+00 3.18 -1.879376470e+00 -2.538115952e+00 -2.881080498e+00 3.20 -1.834051568e+00 -2.485461591e+00 -2.824878466e+00 3.22 -1.789645872e+00 -2.433541959e+00 -2.769282097e+00 3.24 -1.746151692e+00 -2.382375610e+00 -2.714326985e+00 3.26 -1.703560311e+00 -2.331977884e+00 -2.660043718e+00 3.28 -1.661862124e+00 -2.282361199e+00 -2.606458654e+00 3.30 -1.621046758e+00 -2.233535330e+00 -2.553594293e+00 3.32 -1.581103184e+00 -2.185507655e+00 -2.501469613e+00 3.34 -1.542019816e+00 -2.138283387e+00 -2.450100392e+00 3.36 -1.503784599e+00 -2.091865785e+00 -2.399499497e+00 3.38 -1.466385093e+00 -2.046256348e+00 -2.349677149e+00 3.40 -1.429808538e+00 -2.001454992e+00 -2.300641173e+00 3.42 -1.394041925e+00 -1.957460214e+00 -2.252397225e+00 3.44 -1.359072048e+00 -1.914269243e+00 -2.204949000e+00 3.46 -1.324885558e+00 -1.871878170e+00 -2.158298423e+00 3.48 -1.291469008e+00 -1.830282080e+00 -2.112445826e+00 3.50 -1.258808891e+00 -1.789475163e+00 -2.067390111e+00 3.52 -1.226891678e+00 -1.749450818e+00 -2.023128896e+00 3.54 -1.195703850e+00 -1.710201746e+00 -1.979658653e+00 3.56 -1.165231923e+00 -1.671720042e+00 -1.936974831e+00 3.58 -1.135462473e+00 -1.633997268e+00 -1.895071973e+00 3.60 -1.106383633e+00 -1.597024528e+00 -1.853943814e+00 3.62 -1.078267164e+00 -1.560792532e+00 -1.813583384e+00 3.64 -1.054291461e+00 -1.525291655e+00 -1.773983089e+00 3.66 -1.087790409e+00 -1.490511989e+00 -1.735134790e+00 3.68 -1.145096771e+00 -1.456443395e+00 -1.697029881e+00 3.70 -1.122564755e+00 -1.423075545e+00 -1.659659347e+00 3.72 -1.100449649e+00 -1.390397959e+00 -1.623013829e+00 3.74 -1.078742445e+00 -1.358400045e+00 -1.587083677e+00 3.76 -1.057434477e+00 -1.327071126e+00 -1.551858995e+00 3.78 -1.036517406e+00 -1.296400475e+00 -1.517329691e+00 3.80 -1.015983208e+00 -1.266377334e+00 -1.483485513e+00 3.82 -9.958241706e-01 -1.236989756e+00 -1.450316088e+00 3.84 -9.760328733e-01 -1.208130081e+00 -1.417810952e+00 3.86 -9.566021806e-01 -1.178759547e+00 -1.385959579e+00 3.88 -9.375252274e-01 -1.142279836e+00 -1.354751412e+00 3.90 -9.187954067e-01 -1.103144668e+00 -1.324175878e+00 3.92 -9.004063563e-01 -1.078157577e+00 -1.294222417e+00 3.94 -8.823479972e-01 -1.053715853e+00 -1.264880497e+00 3.96 -8.612778736e-01 -1.029809466e+00 -1.236139629e+00 3.98 -8.096277889e-01 -1.006428504e+00 -1.207989384e+00 4.00 -6.410263724e-01 -9.835631833e-01 -1.180419407e+00 4.02 -3.620577517e-01 -9.612038516e-01 -1.153419425e+00 4.04 -3.274968032e-01 -9.393409927e-01 -1.126979257e+00 4.06 -3.204048792e-01 -9.179652292e-01 -1.101088826e+00 4.08 -3.134656012e-01 -8.970673251e-01 -1.075738163e+00 4.10 -3.066755814e-01 -8.766381878e-01 -1.050917414e+00 4.12 -3.000315140e-01 -8.566688691e-01 -1.026616846e+00 4.14 -2.935301732e-01 -8.371505661e-01 -1.002826851e+00 4.16 -2.871684111e-01 -8.180746214e-01 -9.795379502e-01 4.18 -2.809431558e-01 -7.994325230e-01 -9.567407965e-01 4.20 -2.748514093e-01 -7.812159037e-01 -9.344261760e-01 4.22 -2.688902455e-01 -7.634165407e-01 -9.125850111e-01 4.24 -2.630568085e-01 -7.460263538e-01 -8.912083611e-01 4.26 -2.573483107e-01 -7.290374049e-01 -8.702874230e-01 4.28 -2.517620308e-01 -7.124418957e-01 -8.498135323e-01 4.30 -2.462953121e-01 -6.962321663e-01 -8.297781625e-01 4.32 -2.409455610e-01 -6.804006936e-01 -8.101729253e-01 4.34 -2.357102448e-01 -6.649400884e-01 -7.909895698e-01 4.36 -2.305868906e-01 -6.498430942e-01 -7.722199819e-01 4.38 -2.255730832e-01 -6.351025842e-01 -7.538561834e-01 4.40 -2.206664640e-01 -6.207115594e-01 -7.358903306e-01 4.42 -2.154046583e-01 -6.057164293e-01 -7.174858801e-01 4.44 -2.039697676e-01 -5.779768933e-01 -6.878302048e-01 4.46 -1.710410727e-01 -5.017823970e-01 -6.109288361e-01 4.48 -9.532373165e-02 -3.047093841e-01 -3.908283007e-01 4.50 -1.383649431e-22 -4.837777509e-22 -4.297826678e-22 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.54 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