# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1998--Liu-X-Y-Adams-J-B--Al-Mg # implementation = 1998--Liu-X-Y--Al-Mg--LAMMPS--ipr1 # composition = AlMg3 # 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 8.651170521e+01 nan nan 1.02 8.112760954e+01 nan nan 1.04 7.612339339e+01 nan nan 1.06 7.142977925e+01 nan nan 1.08 6.703982863e+01 nan nan 1.10 6.293388613e+01 8.456772902e+01 nan 1.12 5.906778096e+01 nan nan 1.14 5.544312793e+01 7.470181271e+01 8.244585557e+01 1.16 5.203681554e+01 7.027038008e+01 7.781933079e+01 1.18 4.885613652e+01 6.615498650e+01 7.342335203e+01 1.20 4.592272809e+01 6.235492755e+01 6.923702629e+01 1.22 4.323635383e+01 5.881499750e+01 6.527706511e+01 1.24 4.077966646e+01 5.550550836e+01 6.160774294e+01 1.26 3.855372612e+01 5.242697325e+01 5.822853338e+01 1.28 3.651904277e+01 4.955977730e+01 5.509886483e+01 1.30 3.465847756e+01 4.689330106e+01 5.218302055e+01 1.32 3.295497336e+01 4.445469359e+01 4.947425428e+01 1.34 3.138257101e+01 4.222675371e+01 4.695569724e+01 1.36 2.992026485e+01 4.015519887e+01 4.461615332e+01 1.38 2.854703243e+01 3.821400427e+01 4.244607208e+01 1.40 2.724865514e+01 3.640119676e+01 4.041725663e+01 1.42 2.601908589e+01 3.473102292e+01 3.851328854e+01 1.44 2.485355217e+01 3.319662372e+01 3.672043874e+01 1.46 2.374082487e+01 3.176852990e+01 3.503524044e+01 1.48 2.267525320e+01 3.042372588e+01 3.343305066e+01 1.50 2.166013043e+01 2.914132274e+01 3.191944786e+01 1.52 2.069975402e+01 2.791612875e+01 3.050841289e+01 1.54 1.978228234e+01 2.674360931e+01 2.919092306e+01 1.56 1.889461041e+01 2.561486838e+01 2.793926981e+01 1.58 1.803308963e+01 2.453889334e+01 2.674131463e+01 1.60 1.719901980e+01 2.351956386e+01 2.559555515e+01 1.62 1.639836619e+01 2.255505459e+01 2.451185818e+01 1.64 1.562022509e+01 2.163984894e+01 2.349712195e+01 1.66 1.485468800e+01 2.076312901e+01 2.253951250e+01 1.68 1.409521603e+01 1.990942111e+01 2.163115281e+01 1.70 1.333631132e+01 1.907058392e+01 2.076472862e+01 1.72 1.257899803e+01 1.824575119e+01 1.993396804e+01 1.74 1.183706250e+01 1.743497054e+01 1.913841389e+01 1.76 1.110658416e+01 1.664067444e+01 1.837793219e+01 1.78 1.038813874e+01 1.586673060e+01 1.763935749e+01 1.80 9.684492237e+00 1.511640653e+01 1.692263685e+01 1.82 8.998135539e+00 1.439406435e+01 1.622828254e+01 1.84 8.332256623e+00 1.370712774e+01 1.555441967e+01 1.86 7.687779193e+00 1.305195104e+01 1.489893098e+01 1.88 7.064617291e+00 1.241391889e+01 1.425846419e+01 1.90 6.467185302e+00 1.178601168e+01 1.362864079e+01 1.92 5.896818814e+00 1.116267235e+01 1.300235503e+01 1.94 5.352253679e+00 1.054293082e+01 1.237565730e+01 1.96 4.834535593e+00 9.927688444e+00 1.174932123e+01 1.98 4.344865209e+00 9.317487220e+00 1.112432569e+01 2.00 3.885612940e+00 8.712436616e+00 1.050301703e+01 2.02 3.456755457e+00 8.113002308e+00 9.888397194e+00 2.04 3.057723682e+00 7.520614857e+00 9.283294560e+00 2.06 2.685904019e+00 6.937426052e+00 8.689761801e+00 2.08 2.337990914e+00 6.366964394e+00 8.107986501e+00 2.10 2.008998304e+00 5.813015269e+00 7.536790139e+00 2.12 1.697086247e+00 5.285110618e+00 6.985662580e+00 2.14 1.400388092e+00 4.786542787e+00 6.457797322e+00 2.16 1.118102638e+00 4.316950001e+00 5.949160738e+00 2.18 8.497761836e-01 3.875432807e+00 5.456762262e+00 2.20 5.960157697e-01 3.459344997e+00 4.979910056e+00 2.22 3.564247927e-01 3.066246837e+00 4.518704529e+00 2.24 1.307172038e-01 2.694799422e+00 4.073941436e+00 2.26 -8.078603550e-02 2.343823985e+00 3.646359407e+00 2.28 -2.775850119e-01 2.011717629e+00 3.236803488e+00 2.30 -4.586374740e-01 1.697334315e+00 2.846223069e+00 2.32 -6.229780474e-01 1.399885537e+00 2.475345830e+00 2.34 -7.695926316e-01 1.118771510e+00 2.125654810e+00 2.36 -9.007813356e-01 8.537332125e-01 1.799086702e+00 2.38 -1.019325584e+00 6.052652655e-01 1.497751803e+00 2.40 -1.125865968e+00 3.743392328e-01 1.219654519e+00 2.42 -1.221897733e+00 1.613770950e-01 9.605049222e-01 2.44 -1.308959978e+00 -3.297743842e-02 7.200301359e-01 2.46 -1.387870227e+00 -2.101187844e-01 4.971017828e-01 2.48 -1.459124812e+00 -3.719683632e-01 2.901523960e-01 2.50 -1.524369672e+00 -5.185884825e-01 9.789839545e-02 2.52 -1.584802658e+00 -6.515241379e-01 -8.042410661e-02 2.54 -1.640755443e+00 -7.739309258e-01 -2.459431953e-01 2.56 -1.692566957e+00 -8.867825427e-01 -4.001359555e-01 2.58 -1.740483537e+00 -9.908760329e-01 -5.440136376e-01 2.60 -1.784637020e+00 -1.086984367e+00 -6.781432572e-01 2.62 -1.825122982e+00 -1.175825576e+00 -8.032913612e-01 2.64 -1.861727791e+00 -1.257968694e+00 -9.202604848e-01 2.66 -1.892514665e+00 -1.333924224e+00 -1.029899206e+00 2.68 -1.916806559e+00 -1.404288676e+00 -1.132935597e+00 2.70 -1.934569188e+00 -1.469702191e+00 -1.229715156e+00 2.72 -1.945702942e+00 -1.530258771e+00 -1.320253780e+00 2.74 -1.950109599e+00 -1.585828952e+00 -1.404340747e+00 2.76 -1.948209296e+00 -1.636412410e+00 -1.481453757e+00 2.78 -1.942663677e+00 -1.681942006e+00 -1.551217513e+00 2.80 -1.934361766e+00 -1.722343187e+00 -1.613298269e+00 2.82 -1.923888350e+00 -1.757704078e+00 -1.667480353e+00 2.84 -1.912120510e+00 -1.788170959e+00 -1.715623037e+00 2.86 -1.899347464e+00 -1.814182762e+00 -1.759281115e+00 2.88 -1.884330395e+00 -1.834944641e+00 -1.798756341e+00 2.90 -1.867609448e+00 -1.849937477e+00 -1.834344002e+00 2.92 -1.851039851e+00 -1.860341914e+00 -1.866357414e+00 2.94 -1.834011349e+00 -1.866991935e+00 -1.894886477e+00 2.96 -1.816024368e+00 -1.870712579e+00 -1.918101648e+00 2.98 -1.797776779e+00 -1.872497287e+00 -1.936549746e+00 3.00 -1.779690858e+00 -1.873238138e+00 -1.951791743e+00 3.02 -1.760741527e+00 -1.873437488e+00 -1.963393080e+00 3.04 -1.740871864e+00 -1.873466973e+00 -1.971378549e+00 3.06 -1.720275427e+00 -1.873386028e+00 -1.975850274e+00 3.08 -1.699205147e+00 -1.873049815e+00 -1.976929577e+00 3.10 -1.677935488e+00 -1.872217073e+00 -1.974659521e+00 3.12 -1.656745466e+00 -1.870556722e+00 -1.968742219e+00 3.14 -1.635879628e+00 -1.867718310e+00 -1.958871197e+00 3.16 -1.615588804e+00 -1.863454027e+00 -1.945095928e+00 3.18 -1.596108850e+00 -1.858075695e+00 -1.927938506e+00 3.20 -1.577443085e+00 -1.851501530e+00 -1.908379217e+00 3.22 -1.559463135e+00 -1.843528909e+00 -1.887418020e+00 3.24 -1.541985868e+00 -1.833929245e+00 -1.865977196e+00 3.26 -1.524812892e+00 -1.822423742e+00 -1.844813101e+00 3.28 -1.507755888e+00 -1.808716805e+00 -1.824475629e+00 3.30 -1.490702765e+00 -1.792881476e+00 -1.805377469e+00 3.32 -1.473985927e+00 -1.776906278e+00 -1.788197794e+00 3.34 -1.458167408e+00 -1.761605433e+00 -1.773534491e+00 3.36 -1.442913152e+00 -1.746525978e+00 -1.760852802e+00 3.38 -1.427287043e+00 -1.730682581e+00 -1.749105087e+00 3.40 -1.411000788e+00 -1.713727204e+00 -1.738123559e+00 3.42 -1.393717475e+00 -1.695081267e+00 -1.727741578e+00 3.44 -1.375113255e+00 -1.674172175e+00 -1.717790144e+00 3.46 -1.354870216e+00 -1.651970781e+00 -1.708085717e+00 3.48 -1.332671661e+00 -1.631089234e+00 -1.698410692e+00 3.50 -1.308249837e+00 -1.613699525e+00 -1.688525274e+00 3.52 -1.282148407e+00 -1.596344517e+00 -1.678168847e+00 3.54 -1.256053711e+00 -1.578655796e+00 -1.667080737e+00 3.56 -1.232423014e+00 -1.560809100e+00 -1.655001689e+00 3.58 -1.212983159e+00 -1.542941198e+00 -1.641666077e+00 3.60 -1.194419709e+00 -1.525147265e+00 -1.626805740e+00 3.62 -1.175943970e+00 -1.507463530e+00 -1.610150193e+00 3.64 -1.157547180e+00 -1.489899615e+00 -1.591407479e+00 3.66 -1.139324780e+00 -1.472453956e+00 -1.571400597e+00 3.68 -1.121820070e+00 -1.455115019e+00 -1.550658895e+00 3.70 -1.105686732e+00 -1.437861469e+00 -1.529055519e+00 3.72 -1.091040521e+00 -1.420655766e+00 -1.506416257e+00 3.74 -1.076842816e+00 -1.403373437e+00 -1.482515027e+00 3.76 -1.062938176e+00 -1.385961318e+00 -1.457064764e+00 3.78 -1.049243191e+00 -1.368416746e+00 -1.429704349e+00 3.80 -1.035678096e+00 -1.350735092e+00 -1.400073219e+00 3.82 -1.022166567e+00 -1.332888613e+00 -1.369393090e+00 3.84 -1.008635428e+00 -1.314853143e+00 -1.340658499e+00 3.86 -9.950141833e-01 -1.296608402e+00 -1.317127354e+00 3.88 -9.812340493e-01 -1.278120842e+00 -1.296351785e+00 3.90 -9.672758514e-01 -1.259347671e+00 -1.275991887e+00 3.92 -9.531655553e-01 -1.240253372e+00 -1.256125450e+00 3.94 -9.389433792e-01 -1.220826425e+00 -1.236850171e+00 3.96 -9.246560688e-01 -1.201074738e+00 -1.218267856e+00 3.98 -9.103515852e-01 -1.181019649e+00 -1.200469600e+00 4.00 -8.960729393e-01 -1.160695399e+00 -1.183545285e+00 4.02 -8.818544490e-01 -1.140138995e+00 -1.167572932e+00 4.04 -8.677318471e-01 -1.119669352e+00 -1.152598155e+00 4.06 -8.537486073e-01 -1.100276977e+00 -1.138607675e+00 4.08 -8.399534637e-01 -1.082925196e+00 -1.125557849e+00 4.10 -8.263950586e-01 -1.068138429e+00 -1.113373911e+00 4.12 -8.131217562e-01 -1.054107698e+00 -1.101973735e+00 4.14 -8.001645930e-01 -1.040404034e+00 -1.091275060e+00 4.16 -7.875226043e-01 -1.026980382e+00 -1.081175985e+00 4.18 -7.751881896e-01 -1.013772144e+00 -1.071554453e+00 4.20 -7.631362608e-01 -1.000715207e+00 -1.062295100e+00 4.22 -7.513313450e-01 -9.877490469e-01 -1.053295374e+00 4.24 -7.397377562e-01 -9.748169373e-01 -1.044462909e+00 4.26 -7.283188854e-01 -9.618734177e-01 -1.035710126e+00 4.28 -7.170327021e-01 -9.488788578e-01 -1.026953587e+00 4.30 -7.058333429e-01 -9.358008888e-01 -1.018101432e+00 4.32 -6.946772656e-01 -9.226162393e-01 -1.009033762e+00 4.34 -6.835238594e-01 -9.093062741e-01 -9.996725116e-01 4.36 -6.723341058e-01 -8.958812589e-01 -9.899869431e-01 4.38 -6.610792920e-01 -8.823673375e-01 -9.799705940e-01 4.40 -6.497615599e-01 -8.687959719e-01 -9.696249822e-01 4.42 -6.383959557e-01 -8.552086994e-01 -9.589573254e-01 4.44 -6.270101303e-01 -8.416523423e-01 -9.479792307e-01 4.46 -6.156459520e-01 -8.281747754e-01 -9.367046778e-01 4.48 -6.043507550e-01 -8.148184301e-01 -9.251486882e-01 4.50 -5.931766617e-01 -8.016031242e-01 -9.133273002e-01 4.52 -5.821792316e-01 -7.885418888e-01 -9.012576963e-01 4.54 -5.713861872e-01 -7.756398835e-01 -8.889586526e-01 4.56 -5.607943841e-01 -7.629002218e-01 -8.764559572e-01 4.58 -5.504003800e-01 -7.503287584e-01 -8.637805600e-01 4.60 -5.401987398e-01 -7.379316555e-01 -8.509654605e-01 4.62 -5.301792531e-01 -7.257108090e-01 -8.380394461e-01 4.64 -5.202944337e-01 -7.136520052e-01 -8.250100535e-01 4.66 -5.104746096e-01 -7.017365778e-01 -8.119288811e-01 4.68 -5.006530134e-01 -6.899462686e-01 -7.990006283e-01 4.70 -4.907658565e-01 -6.782627153e-01 -7.864478156e-01 4.72 -4.807394166e-01 -6.666786483e-01 -7.744895799e-01 4.74 -4.704841408e-01 -6.552182388e-01 -7.629984513e-01 4.76 -4.599109740e-01 -6.439125798e-01 -7.515585870e-01 4.78 -4.489343352e-01 -6.327933115e-01 -7.401446146e-01 4.80 -4.374737223e-01 -6.218927462e-01 -7.287561877e-01 4.82 -4.254554778e-01 -6.112410583e-01 -7.173935158e-01 4.84 -4.128150255e-01 -6.008435268e-01 -7.060574408e-01 4.86 -3.995025591e-01 -5.906924886e-01 -6.947483330e-01 4.88 -3.855241763e-01 -5.807800310e-01 -6.834655650e-01 4.90 -3.709435807e-01 -5.711019138e-01 -6.722126444e-01 4.92 -3.558374395e-01 -5.616645894e-01 -6.610076496e-01 4.94 -3.402932023e-01 -5.524779515e-01 -6.498721539e-01 4.96 -3.244105464e-01 -5.435456947e-01 -6.388347677e-01 4.98 -3.083025682e-01 -5.348520461e-01 -6.279334640e-01 5.00 -2.920927742e-01 -5.263769454e-01 -6.172069898e-01 5.02 -2.759149257e-01 -5.180916732e-01 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