# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1997--Liu-X-Y-Ohotnicky-P-P-Adams-J-B-et-al--Al-Mg # implementation = 1997--Liu-X-Y--Al-Mg--LAMMPS--ipr1 # composition = Al3Mg # 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 9.084839133e+01 nan nan 1.02 8.500281118e+01 nan nan 1.04 7.952422165e+01 nan nan 1.06 7.436389932e+01 nan nan 1.08 6.951850527e+01 nan nan 1.10 6.507271758e+01 8.849002048e+01 nan 1.12 6.101508714e+01 nan nan 1.14 5.727690496e+01 7.787394388e+01 8.638264638e+01 1.16 5.378302264e+01 7.315891416e+01 8.129819616e+01 1.18 5.054663609e+01 6.880871631e+01 7.650497307e+01 1.20 4.757872923e+01 6.476231821e+01 7.203111739e+01 1.22 4.488525875e+01 6.100157855e+01 6.787168618e+01 1.24 4.242207809e+01 5.749885989e+01 6.404106900e+01 1.26 4.015411629e+01 5.425883574e+01 6.049263906e+01 1.28 3.806814831e+01 5.130708064e+01 5.720395982e+01 1.30 3.613733389e+01 4.860331137e+01 5.414578823e+01 1.32 3.434915035e+01 4.611311801e+01 5.129367722e+01 1.34 3.269625713e+01 4.381825138e+01 4.865862558e+01 1.36 3.114753722e+01 4.168916551e+01 4.621784921e+01 1.38 2.968464784e+01 3.971095284e+01 4.395282818e+01 1.40 2.830373778e+01 3.784984276e+01 4.184906219e+01 1.42 2.698339248e+01 3.610755524e+01 3.987796799e+01 1.44 2.572087822e+01 3.449412435e+01 3.800020016e+01 1.46 2.451675247e+01 3.300324971e+01 3.623022670e+01 1.48 2.336418726e+01 3.161258053e+01 3.456738299e+01 1.50 2.224292646e+01 3.027762542e+01 3.299979116e+01 1.52 2.115186960e+01 2.897055002e+01 3.152340982e+01 1.54 2.009471776e+01 2.769057767e+01 3.013521056e+01 1.56 1.906705434e+01 2.645200537e+01 2.882136373e+01 1.58 1.806251711e+01 2.527209361e+01 2.757314520e+01 1.60 1.707329570e+01 2.416308261e+01 2.636824249e+01 1.62 1.610878262e+01 2.311848206e+01 2.520976379e+01 1.64 1.516871045e+01 2.211654310e+01 2.411519867e+01 1.66 1.425198712e+01 2.113877723e+01 2.308828997e+01 1.68 1.337427322e+01 2.017390198e+01 2.212533738e+01 1.70 1.252042665e+01 1.921958870e+01 2.121954886e+01 1.72 1.167921166e+01 1.827981561e+01 2.033895178e+01 1.74 1.085128245e+01 1.736131295e+01 1.946995044e+01 1.76 1.004110035e+01 1.647399895e+01 1.861034163e+01 1.78 9.253763493e+00 1.562739649e+01 1.776654608e+01 1.80 8.494774887e+00 1.481371032e+01 1.694488552e+01 1.82 7.770453205e+00 1.401917363e+01 1.615061892e+01 1.84 7.078233320e+00 1.324509288e+01 1.538591304e+01 1.86 6.407281974e+00 1.249137162e+01 1.464665184e+01 1.88 5.753541577e+00 1.175417292e+01 1.392001708e+01 1.90 5.124475278e+00 1.102802889e+01 1.319671740e+01 1.92 4.524741915e+00 1.030854599e+01 1.247043699e+01 1.94 3.952108428e+00 9.596526368e+00 1.174094783e+01 1.96 3.406400665e+00 8.892961059e+00 1.100884787e+01 1.98 2.888729693e+00 8.196832487e+00 1.027613608e+01 2.00 2.402187286e+00 7.508840823e+00 9.547378172e+00 2.02 1.945444683e+00 6.830547641e+00 8.827487650e+00 2.04 1.517554461e+00 6.170853050e+00 8.129276964e+00 2.06 1.119777559e+00 5.531466503e+00 7.457325737e+00 2.08 7.489378010e-01 4.911875434e+00 6.807509079e+00 2.10 4.009061865e-01 4.314539716e+00 6.175974428e+00 2.12 7.262400227e-02 3.746749568e+00 5.567434245e+00 2.14 -2.374078461e-01 3.213419399e+00 4.985690806e+00 2.16 -5.279187990e-01 2.714148143e+00 4.426016028e+00 2.18 -7.978172273e-01 2.247989879e+00 3.885480300e+00 2.20 -1.046192922e+00 1.811435865e+00 3.364904677e+00 2.22 -1.272842875e+00 1.401639570e+00 2.866587013e+00 2.24 -1.477683428e+00 1.017746270e+00 2.393201385e+00 2.26 -1.660340446e+00 6.575958101e-01 1.945435415e+00 2.28 -1.822166247e+00 3.193854441e-01 1.525153658e+00 2.30 -1.969114675e+00 2.330873375e-03 1.134977028e+00 2.32 -2.101523741e+00 -2.934935874e-01 7.739234290e-01 2.34 -2.219702857e+00 -5.676095884e-01 4.344637809e-01 2.36 -2.323831481e+00 -8.189152367e-01 1.163110335e-01 2.38 -2.413963409e+00 -1.048399325e+00 -1.804959158e-01 2.40 -2.490702509e+00 -1.259081287e+00 -4.557399504e-01 2.42 -2.555286458e+00 -1.450568463e+00 -7.090608529e-01 2.44 -2.608481594e+00 -1.623389536e+00 -9.402510394e-01 2.46 -2.652794527e+00 -1.780971872e+00 -1.150174410e+00 2.48 -2.690235329e+00 -1.923809339e+00 -1.340314125e+00 2.50 -2.723287110e+00 -2.052421678e+00 -1.511840853e+00 2.52 -2.752623018e+00 -2.167541448e+00 -1.665391416e+00 2.54 -2.778207544e+00 -2.269967082e+00 -1.803254632e+00 2.56 -2.799878602e+00 -2.360395126e+00 -1.929433105e+00 2.58 -2.817161932e+00 -2.439447047e+00 -2.045661440e+00 2.60 -2.829374615e+00 -2.507987547e+00 -2.152712755e+00 2.62 -2.835803257e+00 -2.567366756e+00 -2.251351117e+00 2.64 -2.835309925e+00 -2.618276701e+00 -2.342304479e+00 2.66 -2.826846054e+00 -2.661354421e+00 -2.426104091e+00 2.68 -2.811905929e+00 -2.697557856e+00 -2.502970412e+00 2.70 -2.793704252e+00 -2.727579893e+00 -2.572561979e+00 2.72 -2.773012618e+00 -2.751946915e+00 -2.634182986e+00 2.74 -2.750641327e+00 -2.770939471e+00 -2.687882551e+00 2.76 -2.727350969e+00 -2.785093715e+00 -2.735866676e+00 2.78 -2.703383370e+00 -2.794960010e+00 -2.778157982e+00 2.80 -2.678185136e+00 -2.800721702e+00 -2.814571750e+00 2.82 -2.650956156e+00 -2.802167247e+00 -2.844674845e+00 2.84 -2.621069693e+00 -2.799194043e+00 -2.868615910e+00 2.86 -2.587967100e+00 -2.792306038e+00 -2.886895641e+00 2.88 -2.552334096e+00 -2.782877369e+00 -2.900057203e+00 2.90 -2.516119546e+00 -2.772085379e+00 -2.908326142e+00 2.92 -2.481929987e+00 -2.760666091e+00 -2.912101629e+00 2.94 -2.450051399e+00 -2.748523054e+00 -2.911798736e+00 2.96 -2.420551018e+00 -2.736183295e+00 -2.907793669e+00 2.98 -2.393709311e+00 -2.723855253e+00 -2.900732037e+00 3.00 -2.366492486e+00 -2.711524241e+00 -2.891476637e+00 3.02 -2.338083740e+00 -2.698511249e+00 -2.880041646e+00 3.04 -2.308509425e+00 -2.684177354e+00 -2.866567256e+00 3.06 -2.277988488e+00 -2.668347236e+00 -2.851210705e+00 3.08 -2.246699957e+00 -2.651714634e+00 -2.833625533e+00 3.10 -2.214760825e+00 -2.634229069e+00 -2.812973646e+00 3.12 -2.182324781e+00 -2.615556403e+00 -2.788539668e+00 3.14 -2.149666300e+00 -2.595213690e+00 -2.759836658e+00 3.16 -2.117033206e+00 -2.572650052e+00 -2.727202946e+00 3.18 -2.084685036e+00 -2.547253255e+00 -2.692332191e+00 3.20 -2.052610430e+00 -2.519197654e+00 -2.657124971e+00 3.22 -2.020745955e+00 -2.490425370e+00 -2.622898733e+00 3.24 -1.989027855e+00 -2.460923699e+00 -2.588459401e+00 3.26 -1.957455362e+00 -2.430494035e+00 -2.554311754e+00 3.28 -1.926244643e+00 -2.399107499e+00 -2.521180067e+00 3.30 -1.895710123e+00 -2.366964764e+00 -2.489742739e+00 3.32 -1.866360348e+00 -2.334617825e+00 -2.460434346e+00 3.34 -1.838515915e+00 -2.302782561e+00 -2.433262726e+00 3.36 -1.811923900e+00 -2.271739798e+00 -2.407784830e+00 3.38 -1.786057376e+00 -2.241530741e+00 -2.383363222e+00 3.40 -1.761183029e+00 -2.212517485e+00 -2.359644340e+00 3.42 -1.738054764e+00 -2.183801025e+00 -2.336264457e+00 3.44 -1.716574430e+00 -2.153337158e+00 -2.312838886e+00 3.46 -1.696590539e+00 -2.121884184e+00 -2.288971176e+00 3.48 -1.677930262e+00 -2.091075562e+00 -2.264258669e+00 3.50 -1.660405230e+00 -2.062274879e+00 -2.238295752e+00 3.52 -1.643823615e+00 -2.034108768e+00 -2.210672609e+00 3.54 -1.628063268e+00 -2.006723796e+00 -2.182174130e+00 3.56 -1.612986763e+00 -1.980368175e+00 -2.154217694e+00 3.58 -1.598353232e+00 -1.955103247e+00 -2.126695348e+00 3.60 -1.583951381e+00 -1.930897436e+00 -2.099431291e+00 3.62 -1.569625099e+00 -1.907662739e+00 -2.072207851e+00 3.64 -1.555259596e+00 -1.885280346e+00 -2.044788383e+00 3.66 -1.540851818e+00 -1.863606936e+00 -2.016921413e+00 3.68 -1.526786686e+00 -1.842476266e+00 -1.988339880e+00 3.70 -1.513475839e+00 -1.821718974e+00 -1.958752029e+00 3.72 -1.500854647e+00 -1.801165471e+00 -1.927920208e+00 3.74 -1.488031647e+00 -1.780660049e+00 -1.895705964e+00 3.76 -1.474866110e+00 -1.760094469e+00 -1.861973118e+00 3.78 -1.461263531e+00 -1.739411957e+00 -1.826678824e+00 3.80 -1.447132801e+00 -1.718578922e+00 -1.789955487e+00 3.82 -1.432585244e+00 -1.697630138e+00 -1.752816757e+00 3.84 -1.417925508e+00 -1.676672993e+00 -1.717029713e+00 3.86 -1.403498330e+00 -1.655821909e+00 -1.684519783e+00 3.88 -1.388932274e+00 -1.635193657e+00 -1.654674009e+00 3.90 -1.373930162e+00 -1.614923388e+00 -1.626940325e+00 3.92 -1.358556640e+00 -1.595131336e+00 -1.601787286e+00 3.94 -1.342877904e+00 -1.575915174e+00 -1.579437394e+00 3.96 -1.326953500e+00 -1.557361832e+00 -1.559113753e+00 3.98 -1.310844669e+00 -1.539513723e+00 -1.540803914e+00 4.00 -1.294617576e+00 -1.522343923e+00 -1.524573209e+00 4.02 -1.278343844e+00 -1.505787225e+00 -1.510331985e+00 4.04 -1.262101040e+00 -1.489831900e+00 -1.497971991e+00 4.06 -1.245965467e+00 -1.474670486e+00 -1.487339851e+00 4.08 -1.229982797e+00 -1.460542724e+00 -1.478015986e+00 4.10 -1.214198842e+00 -1.447649028e+00 -1.469594838e+00 4.12 -1.198665925e+00 -1.435403960e+00 -1.461790757e+00 4.14 -1.183400603e+00 -1.423546784e+00 -1.454404083e+00 4.16 -1.168327580e+00 -1.411948408e+00 -1.447292242e+00 4.18 -1.153338356e+00 -1.400497997e+00 -1.440350071e+00 4.20 -1.138313873e+00 -1.389091859e+00 -1.433494458e+00 4.22 -1.123123678e+00 -1.377632130e+00 -1.426652057e+00 4.24 -1.107624668e+00 -1.366028484e+00 -1.419750659e+00 4.26 -1.091659263e+00 -1.354215660e+00 -1.412713761e+00 4.28 -1.075053119e+00 -1.342134358e+00 -1.405456555e+00 4.30 -1.057612119e+00 -1.329724288e+00 -1.397883667e+00 4.32 -1.039123411e+00 -1.316943621e+00 -1.389915962e+00 4.34 -1.019360360e+00 -1.303783981e+00 -1.381518822e+00 4.36 -9.982255381e-01 -1.290271116e+00 -1.372704648e+00 4.38 -9.758349942e-01 -1.276445331e+00 -1.363504375e+00 4.40 -9.524042922e-01 -1.262335073e+00 -1.353941779e+00 4.42 -9.282087421e-01 -1.247947287e+00 -1.344034497e+00 4.44 -9.035911692e-01 -1.233281630e+00 -1.333795448e+00 4.46 -8.789746458e-01 -1.218332599e+00 -1.323232416e+00 4.48 -8.548460388e-01 -1.203080505e+00 -1.312348203e+00 4.50 -8.317513648e-01 -1.187467186e+00 -1.301140873e+00 4.52 -8.102849189e-01 -1.171418686e+00 -1.289603779e+00 4.54 -7.910471528e-01 -1.154852805e+00 -1.277725293e+00 4.56 -7.726952337e-01 -1.137680311e+00 -1.265491479e+00 4.58 -7.538963397e-01 -1.119832476e+00 -1.252916875e+00 4.60 -7.347234134e-01 -1.101258854e+00 -1.240037617e+00 4.62 -7.152155620e-01 -1.081952312e+00 -1.226877841e+00 4.64 -6.953634721e-01 -1.061976795e+00 -1.213421426e+00 4.66 -6.751283009e-01 -1.041414235e+00 -1.199676532e+00 4.68 -6.544736735e-01 -1.020364700e+00 -1.185774862e+00 4.70 -6.333658773e-01 -9.989481877e-01 -1.171885003e+00 4.72 -6.117737533e-01 -9.773200813e-01 -1.158196748e+00 4.74 -5.896685174e-01 -9.556980357e-01 -1.144636436e+00 4.76 -5.670286674e-01 -9.343291148e-01 -1.130878457e+00 4.78 -5.438824456e-01 -9.134800449e-01 -1.116893889e+00 4.80 -5.202899496e-01 -8.934343953e-01 -1.102673419e+00 4.82 -4.963190450e-01 -8.743981303e-01 -1.088203138e+00 4.84 -4.720400139e-01 -8.556161277e-01 -1.073451968e+00 4.86 -4.475318429e-01 -8.368306654e-01 -1.058382526e+00 4.88 -4.229294939e-01 -8.181047960e-01 -1.042955487e+00 4.90 -3.984382395e-01 -7.995048523e-01 -1.027145417e+00 4.92 -3.742729897e-01 -7.811169097e-01 -1.010955112e+00 4.94 -3.506567412e-01 -7.630287713e-01 -9.943890763e-01 4.96 -3.278207225e-01 -7.453148264e-01 -9.774586048e-01 4.98 -3.059176158e-01 -7.280144227e-01 -9.601871297e-01 5.00 -2.847148471e-01 -7.111465893e-01 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