# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1999--Liu-X-Y-Liu-C-L-Borucki-L-J--Al-Cu # implementation = 1999--Liu-X-Y--Al-Cu--LAMMPS--ipr1 # composition = Al3Cu # 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 1.095436789e+02 nan nan 0.92 1.018748825e+02 nan nan 0.94 9.485136164e+01 nan nan 0.96 8.840684115e+01 nan nan 0.98 8.242656541e+01 nan nan 1.00 7.672509994e+01 1.041128011e+02 nan 1.02 7.139932579e+01 9.725676094e+01 1.060163867e+02 1.04 6.642862865e+01 9.076003229e+01 9.952731167e+01 1.06 6.184121826e+01 8.455676935e+01 9.350238611e+01 1.08 5.757397240e+01 7.887622539e+01 8.785884558e+01 1.10 5.365397216e+01 7.369142255e+01 8.252878927e+01 1.12 5.011017732e+01 6.887054737e+01 7.753244645e+01 1.14 4.686246650e+01 6.439559425e+01 7.273774840e+01 1.16 4.393669840e+01 6.036665684e+01 6.813152003e+01 1.18 4.130279096e+01 5.672980905e+01 6.388118284e+01 1.20 3.886036347e+01 5.336649666e+01 5.997710191e+01 1.22 3.662413000e+01 5.022678819e+01 5.635119332e+01 1.24 3.461838241e+01 4.735145565e+01 5.304465363e+01 1.26 3.278912003e+01 4.474306639e+01 5.001157669e+01 1.28 3.108346333e+01 4.236873712e+01 4.718431399e+01 1.30 2.952331540e+01 4.014347660e+01 4.455633547e+01 1.32 2.811040259e+01 3.803803535e+01 4.218459420e+01 1.34 2.680663678e+01 3.608641645e+01 4.005762906e+01 1.36 2.555528537e+01 3.430117120e+01 3.810535788e+01 1.38 2.432398183e+01 3.268495495e+01 3.623534475e+01 1.40 2.314172303e+01 3.122572002e+01 3.444430297e+01 1.42 2.200597783e+01 2.987883713e+01 3.276592427e+01 1.44 2.091673783e+01 2.856919948e+01 3.117594441e+01 1.46 1.985126614e+01 2.726291521e+01 2.967487104e+01 1.48 1.877877847e+01 2.599339350e+01 2.824112384e+01 1.50 1.769976321e+01 2.477592416e+01 2.685427009e+01 1.52 1.665453246e+01 2.360201899e+01 2.552624309e+01 1.54 1.565338782e+01 2.246963870e+01 2.428063341e+01 1.56 1.469507918e+01 2.138127800e+01 2.312337574e+01 1.58 1.377372494e+01 2.033835099e+01 2.205635725e+01 1.60 1.287739773e+01 1.934230788e+01 2.107162152e+01 1.62 1.199133257e+01 1.838632892e+01 2.015199675e+01 1.64 1.110230580e+01 1.745182515e+01 1.927342120e+01 1.66 1.021646221e+01 1.651866526e+01 1.840712029e+01 1.68 9.356078878e+00 1.559713174e+01 1.755972884e+01 1.70 8.522651024e+00 1.469931558e+01 1.674102168e+01 1.72 7.715810506e+00 1.382086320e+01 1.594436310e+01 1.74 6.935901210e+00 1.296340463e+01 1.516726693e+01 1.76 6.183146551e+00 1.213258028e+01 1.440930814e+01 1.78 5.458684603e+00 1.133455760e+01 1.367253921e+01 1.80 4.771994303e+00 1.056923191e+01 1.295844452e+01 1.82 4.122517985e+00 9.836327696e+00 1.226649851e+01 1.84 3.496001993e+00 9.135418219e+00 1.158271392e+01 1.86 2.884853041e+00 8.465045500e+00 1.088811164e+01 1.88 2.313811003e+00 7.819793879e+00 1.016444469e+01 1.90 1.782785620e+00 7.188368099e+00 9.423765361e+00 1.92 1.289000912e+00 6.557257288e+00 8.689379743e+00 1.94 8.299577831e-01 5.915208848e+00 7.960368665e+00 1.96 4.027110958e-01 5.268124914e+00 7.235519594e+00 1.98 5.365922777e-03 4.608275475e+00 6.513722727e+00 2.00 -3.629906179e-01 3.948992957e+00 5.797292132e+00 2.02 -7.041201170e-01 3.307966982e+00 5.100554307e+00 2.04 -1.017323227e+00 2.693109501e+00 4.433678652e+00 2.06 -1.299579411e+00 2.112265989e+00 3.806734847e+00 2.08 -1.551959990e+00 1.565863799e+00 3.218556796e+00 2.10 -1.776764450e+00 1.054214833e+00 2.668098254e+00 2.12 -1.979612889e+00 5.775694219e-01 2.155328823e+00 2.14 -2.167472808e+00 1.360492121e-01 1.679901413e+00 2.16 -2.346959575e+00 -2.706382705e-01 1.238269393e+00 2.18 -2.522322693e+00 -6.425235492e-01 8.228192880e-01 2.20 -2.681937715e+00 -9.813672570e-01 4.253188729e-01 2.22 -2.824434505e+00 -1.288765510e+00 3.843452824e-02 2.24 -2.951343573e+00 -1.565757178e+00 -3.369893141e-01 2.26 -3.064173954e+00 -1.814102007e+00 -6.893201259e-01 2.28 -3.163881186e+00 -2.036016833e+00 -1.018332189e+00 2.30 -3.250629254e+00 -2.233838470e+00 -1.323573377e+00 2.32 -3.323921765e+00 -2.409809677e+00 -1.604953851e+00 2.34 -3.383318034e+00 -2.565981778e+00 -1.862454244e+00 2.36 -3.429782896e+00 -2.703589362e+00 -2.096263694e+00 2.38 -3.464586183e+00 -2.823553223e+00 -2.306958048e+00 2.40 -3.488146461e+00 -2.926725206e+00 -2.495137029e+00 2.42 -3.501479883e+00 -3.014384407e+00 -2.661960222e+00 2.44 -3.505825711e+00 -3.087945970e+00 -2.808907235e+00 2.46 -3.502280480e+00 -3.149101714e+00 -2.937484029e+00 2.48 -3.491732606e+00 -3.199096684e+00 -3.049289410e+00 2.50 -3.474687307e+00 -3.238430294e+00 -3.145845930e+00 2.52 -3.450536002e+00 -3.266039211e+00 -3.228278724e+00 2.54 -3.419964978e+00 -3.285998470e+00 -3.298400330e+00 2.56 -3.383779970e+00 -3.301816584e+00 -3.357545096e+00 2.58 -3.342790404e+00 -3.317081276e+00 -3.406921575e+00 2.60 -3.297755829e+00 -3.335882108e+00 -3.447493359e+00 2.62 -3.248991198e+00 -3.352321703e+00 -3.479710574e+00 2.64 -3.196280157e+00 -3.361649810e+00 -3.503114418e+00 2.66 -3.139429173e+00 -3.364698274e+00 -3.517990185e+00 2.68 -3.079115397e+00 -3.362252837e+00 -3.524666867e+00 2.70 -3.016849287e+00 -3.354961968e+00 -3.523415426e+00 2.72 -2.954803145e+00 -3.343417537e+00 -3.514553779e+00 2.74 -2.895460412e+00 -3.328243728e+00 -3.498493275e+00 2.76 -2.841331061e+00 -3.310020031e+00 -3.475704962e+00 2.78 -2.790822800e+00 -3.289423414e+00 -3.447293332e+00 2.80 -2.740997084e+00 -3.266879888e+00 -3.415180743e+00 2.82 -2.691404314e+00 -3.242548897e+00 -3.381340762e+00 2.84 -2.642150345e+00 -3.216772394e+00 -3.348667507e+00 2.86 -2.593371293e+00 -3.189633370e+00 -3.320533997e+00 2.88 -2.545844862e+00 -3.161053690e+00 -3.299249283e+00 2.90 -2.500169525e+00 -3.131476926e+00 -3.277712869e+00 2.92 -2.457082460e+00 -3.100445834e+00 -3.254340943e+00 2.94 -2.417308910e+00 -3.066209443e+00 -3.228730322e+00 2.96 -2.381691885e+00 -3.029149785e+00 -3.200413310e+00 2.98 -2.350631830e+00 -2.989831530e+00 -3.169002089e+00 3.00 -2.320492681e+00 -2.948801344e+00 -3.134173710e+00 3.02 -2.290344852e+00 -2.906581869e+00 -3.096001023e+00 3.04 -2.259707724e+00 -2.863812759e+00 -3.054936478e+00 3.06 -2.228567037e+00 -2.821000023e+00 -3.011368309e+00 3.08 -2.197103282e+00 -2.778309921e+00 -2.965709129e+00 3.10 -2.164983846e+00 -2.736010335e+00 -2.918781817e+00 3.12 -2.131795652e+00 -2.694280378e+00 -2.871557216e+00 3.14 -2.097660575e+00 -2.653193371e+00 -2.824937790e+00 3.16 -2.062861926e+00 -2.612790050e+00 -2.779899882e+00 3.18 -2.027851770e+00 -2.573040486e+00 -2.737443747e+00 3.20 -1.993335637e+00 -2.533749792e+00 -2.698463760e+00 3.22 -1.960009561e+00 -2.494663056e+00 -2.663134629e+00 3.24 -1.928496217e+00 -2.455492101e+00 -2.628421655e+00 3.26 -1.899314099e+00 -2.415924891e+00 -2.593836757e+00 3.28 -1.872851838e+00 -2.375915446e+00 -2.559315633e+00 3.30 -1.849358737e+00 -2.335617994e+00 -2.524797241e+00 3.32 -1.828826315e+00 -2.295139592e+00 -2.490259184e+00 3.34 -1.810472851e+00 -2.255390448e+00 -2.455702036e+00 3.36 -1.793281249e+00 -2.217114630e+00 -2.421141190e+00 3.38 -1.776557844e+00 -2.181022191e+00 -2.386519690e+00 3.40 -1.759838299e+00 -2.147888987e+00 -2.351622372e+00 3.42 -1.742868972e+00 -2.117182249e+00 -2.316714965e+00 3.44 -1.725470303e+00 -2.086897324e+00 -2.281967118e+00 3.46 -1.707503384e+00 -2.057286701e+00 -2.247406718e+00 3.48 -1.688880970e+00 -2.028644235e+00 -2.213091474e+00 3.50 -1.669546130e+00 -2.001227232e+00 -2.179101660e+00 3.52 -1.649466163e+00 -1.975273718e+00 -2.145742806e+00 3.54 -1.628706294e+00 -1.950871703e+00 -2.113057449e+00 3.56 -1.607387510e+00 -1.928002544e+00 -2.081177372e+00 3.58 -1.585606038e+00 -1.906518915e+00 -2.050100756e+00 3.60 -1.563466479e+00 -1.886291910e+00 -2.019778991e+00 3.62 -1.541071935e+00 -1.867125747e+00 -1.990142557e+00 3.64 -1.518353458e+00 -1.848758228e+00 -1.961162244e+00 3.66 -1.495112891e+00 -1.830873921e+00 -1.932802401e+00 3.68 -1.471315771e+00 -1.813226089e+00 -1.905023871e+00 3.70 -1.446944145e+00 -1.795613014e+00 -1.877790953e+00 3.72 -1.421793376e+00 -1.777857621e+00 -1.851079732e+00 3.74 -1.395789759e+00 -1.759806111e+00 -1.824886345e+00 3.76 -1.368934330e+00 -1.741360850e+00 -1.799239455e+00 3.78 -1.341213038e+00 -1.722412016e+00 -1.774297171e+00 3.80 -1.312597759e+00 -1.702778466e+00 -1.750354801e+00 3.82 -1.283115299e+00 -1.682278749e+00 -1.727875682e+00 3.84 -1.252856733e+00 -1.660733628e+00 -1.706920859e+00 3.86 -1.221930084e+00 -1.637944574e+00 -1.686924246e+00 3.88 -1.190478219e+00 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-8.312332346e-01 4.60 -2.604701467e-01 -6.727231016e-01 -8.138065533e-01 4.62 -2.555774502e-01 -6.489800654e-01 -7.958922999e-01 4.64 -2.502991562e-01 -6.240884609e-01 -7.775236064e-01 4.66 -2.445801370e-01 -5.984351360e-01 -7.587349828e-01 4.68 -2.383617209e-01 -5.724129226e-01 -7.395623540e-01 4.70 -2.315815034e-01 -5.464429919e-01 -7.200430571e-01 4.72 -2.241991923e-01 -5.210077791e-01 -7.002158204e-01 4.74 -2.161493632e-01 -4.966158691e-01 -6.801207476e-01 4.76 -2.072016317e-01 -4.737956690e-01 -6.597993858e-01 4.78 -1.971703195e-01 -4.530877138e-01 -6.392949673e-01 4.80 -1.858892527e-01 -4.350931785e-01 -6.187411468e-01 4.82 -1.732084002e-01 -4.202984361e-01 -5.984188494e-01 4.84 -1.590222449e-01 -4.066175106e-01 -5.785730553e-01 4.86 -1.441081629e-01 -3.934322455e-01 -5.594343957e-01 4.88 -1.295947622e-01 -3.808973414e-01 -5.412326677e-01 4.90 -1.164592966e-01 -3.691625141e-01 -5.241968616e-01 4.92 -1.054353341e-01 -3.583783467e-01 -5.085538493e-01 4.94 -9.700733953e-02 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