# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Smirnova-D-E-Kuksin-A-Y-Starikov-S-V-et-al--U-Mo-Xe # implementation = EAM_Dynamo_SmirnovaKuskinStarikov_2013_UMoXe__MO_679329885632_005 # composition = U3Xe # 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 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 nan nan nan 1.16 nan nan nan 1.18 nan nan nan 1.20 nan nan nan 1.22 nan nan nan 1.24 nan nan nan 1.26 nan nan nan 1.28 nan nan nan 1.30 nan nan nan 1.32 nan nan nan 1.34 nan nan nan 1.36 nan nan nan 1.38 nan nan nan 1.40 nan nan nan 1.42 nan nan nan 1.44 nan nan nan 1.46 nan nan nan 1.48 nan nan nan 1.50 nan nan nan 1.52 nan nan nan 1.54 nan nan nan 1.56 nan nan nan 1.58 nan nan nan 1.60 nan nan nan 1.62 nan nan nan 1.64 nan nan nan 1.66 nan nan nan 1.68 nan nan nan 1.70 nan nan nan 1.72 nan nan nan 1.74 nan nan nan 1.76 nan nan nan 1.78 nan nan nan 1.80 nan nan nan 1.82 nan nan nan 1.84 nan nan nan 1.86 nan nan nan 1.88 nan nan nan 1.90 nan nan nan 1.92 nan nan nan 1.94 nan nan nan 1.96 nan nan nan 1.98 nan nan nan 2.00 1.985417277e+01 nan nan 2.02 1.844788134e+01 nan nan 2.04 1.715013599e+01 nan nan 2.06 1.596270277e+01 nan nan 2.08 1.487290711e+01 nan nan 2.10 1.384254006e+01 nan nan 2.12 1.283870693e+01 nan nan 2.14 1.183048108e+01 nan nan 2.16 1.067587482e+01 nan nan 2.18 9.687276782e+00 1.799400222e+01 nan 2.20 8.743018129e+00 1.673423201e+01 nan 2.22 7.842783452e+00 1.557520898e+01 2.093386588e+01 2.24 6.997112596e+00 1.450644174e+01 1.963045893e+01 2.26 6.210670916e+00 1.351671562e+01 1.836371629e+01 2.28 5.480974208e+00 1.258970148e+01 1.712736920e+01 2.30 4.674867841e+00 1.171020796e+01 1.592356905e+01 2.32 3.866819435e+00 1.086357746e+01 1.475715814e+01 2.34 3.154231056e+00 1.003794192e+01 1.363371907e+01 2.36 2.539502554e+00 9.228046709e+00 1.254775063e+01 2.38 2.020060119e+00 8.438008719e+00 1.148897536e+01 2.40 1.584817103e+00 7.675618060e+00 1.046447164e+01 2.42 1.212749399e+00 6.864867354e+00 9.359256259e+00 2.44 8.881676637e-01 6.209348380e+00 8.480479845e+00 2.46 6.007635511e-01 5.619802774e+00 7.689671064e+00 2.48 3.412063397e-01 5.090042701e+00 6.988755671e+00 2.50 9.785425359e-02 4.603939643e+00 6.372056257e+00 2.52 -1.372694665e-01 4.153295340e+00 5.827143248e+00 2.54 -3.651277680e-01 3.735810462e+00 5.339793834e+00 2.56 -5.798494019e-01 3.212117256e+00 4.884471173e+00 2.58 -7.723631880e-01 2.647474686e+00 4.335359486e+00 2.60 -9.332921106e-01 2.117850259e+00 3.823601477e+00 2.62 -1.056729053e+00 1.642305317e+00 3.331216357e+00 2.64 -1.144596661e+00 1.221194395e+00 2.855293833e+00 2.66 -1.204750113e+00 8.470447816e-01 2.393565866e+00 2.68 -1.242955115e+00 5.176576040e-01 1.944770452e+00 2.70 -1.262202236e+00 2.317077425e-01 1.514500798e+00 2.72 -1.264241703e+00 -1.450340042e-02 1.117275853e+00 2.74 -1.251150905e+00 -2.235231490e-01 7.634882136e-01 2.76 -1.225124973e+00 -4.000195533e-01 4.540866670e-01 2.78 -1.191057064e+00 -5.490050644e-01 1.862761475e-01 2.80 -1.149936689e+00 -6.741337353e-01 -4.953945513e-02 2.82 -1.103548731e+00 -7.784406967e-01 -2.571579879e-01 2.84 -1.055814761e+00 -8.645543207e-01 -4.395698701e-01 2.86 -1.011445875e+00 -9.337326501e-01 -6.010086863e-01 2.88 -9.744392218e-01 -9.861433271e-01 -7.444053182e-01 2.90 -9.477538962e-01 -1.022111687e+00 -8.716893116e-01 2.92 -9.326817432e-01 -1.044194408e+00 -9.850295278e-01 2.94 -9.291341033e-01 -1.055474766e+00 -1.086099216e+00 2.96 -9.362709377e-01 -1.059326606e+00 -1.175420198e+00 2.98 -9.525975398e-01 -1.059304543e+00 -1.252317857e+00 3.00 -9.750454906e-01 -1.059222878e+00 -1.314699283e+00 3.02 -1.002234332e+00 -1.064220900e+00 -1.359391497e+00 3.04 -1.036153169e+00 -1.076675303e+00 -1.384437884e+00 3.06 -1.078184904e+00 -1.093296679e+00 -1.389369582e+00 3.08 -1.128384995e+00 -1.110389041e+00 -1.376153592e+00 3.10 -1.184511917e+00 -1.124311390e+00 -1.350346475e+00 3.12 -1.237109828e+00 -1.129301504e+00 -1.316852551e+00 3.14 -1.277564062e+00 -1.118645933e+00 -1.278045476e+00 3.16 -1.302311788e+00 -1.092147129e+00 -1.238552426e+00 3.18 -1.309955732e+00 -1.053214172e+00 -1.202955603e+00 3.20 -1.300719696e+00 -1.006324691e+00 -1.174691552e+00 3.22 -1.276359741e+00 -9.577113731e-01 -1.155309203e+00 3.24 -1.240479092e+00 -9.152661589e-01 -1.144767175e+00 3.26 -1.195650625e+00 -8.791041469e-01 -1.141847078e+00 3.28 -1.143798103e+00 -8.474595584e-01 -1.144846140e+00 3.30 -1.086734816e+00 -8.206936860e-01 -1.151889834e+00 3.32 -1.025756952e+00 -7.988474582e-01 -1.161185470e+00 3.34 -9.559914867e-01 -7.818584528e-01 -1.171427273e+00 3.36 -8.758935617e-01 -7.693934884e-01 -1.180995102e+00 3.38 -7.852086330e-01 -7.608514768e-01 -1.186509181e+00 3.40 -6.837340065e-01 -7.556067646e-01 -1.184872331e+00 3.42 -5.716167529e-01 -7.529511532e-01 -1.173117539e+00 3.44 -4.498157316e-01 -7.519073249e-01 -1.148185556e+00 3.46 -3.227702842e-01 -7.520097786e-01 -1.106913183e+00 3.48 -1.960858564e-01 -7.529746997e-01 -1.048415263e+00 3.50 -7.564667709e-02 -7.545436350e-01 -9.762642058e-01 3.52 3.405812625e-02 -7.564411240e-01 -8.939605817e-01 3.54 1.307369692e-01 -7.586767143e-01 -8.059717776e-01 3.56 2.124870064e-01 -7.610071183e-01 -7.182927379e-01 3.58 2.777162138e-01 -7.618545636e-01 -6.384392937e-01 3.60 3.245103722e-01 -7.594893611e-01 -5.670919222e-01 3.62 3.515148401e-01 -7.521380437e-01 -5.025902121e-01 3.64 3.578001283e-01 -7.379391462e-01 -4.462096610e-01 3.66 3.434777331e-01 -7.144463876e-01 -3.989265012e-01 3.68 3.101904094e-01 -6.789530192e-01 -3.608620640e-01 3.70 2.615338655e-01 -6.329881622e-01 -3.319243838e-01 3.72 2.020483202e-01 -5.805145828e-01 -3.118949943e-01 3.74 1.364805538e-01 -5.260923269e-01 -3.004474371e-01 3.76 6.971088967e-02 -4.749026526e-01 -2.971647685e-01 3.78 6.655995995e-03 -4.326128016e-01 -3.015558655e-01 3.80 -4.781948692e-02 -4.045968021e-01 -3.130555961e-01 3.82 -8.893885900e-02 -3.865949710e-01 -3.309741420e-01 3.84 -1.123016417e-01 -3.760233627e-01 -3.545683382e-01 3.86 -1.164894355e-01 -3.729459167e-01 -3.830267049e-01 3.88 -1.038345528e-01 -3.771099980e-01 -4.151048702e-01 3.90 -7.705598692e-02 -3.879857722e-01 -4.493659141e-01 3.92 -3.878079200e-02 -4.039503893e-01 -4.844673645e-01 3.94 8.385614889e-03 -4.228065935e-01 -5.191649217e-01 3.96 6.177999872e-02 -4.424414958e-01 -5.521922487e-01 3.98 1.228532077e-01 -4.608260615e-01 -5.823079317e-01 4.00 1.832172273e-01 -4.759833009e-01 -6.083794711e-01 4.02 2.387772085e-01 -4.859378245e-01 -6.293514412e-01 4.04 2.884049306e-01 -4.886413555e-01 -6.441956103e-01 4.06 3.339611508e-01 -4.818756340e-01 -6.518511160e-01 4.08 3.447288348e-01 -4.634294210e-01 -6.515274703e-01 4.10 3.389854088e-01 -4.327995102e-01 -6.435906944e-01 4.12 3.312643101e-01 -3.907031689e-01 -6.280734856e-01 4.14 3.219230634e-01 -3.379174045e-01 -6.047072083e-01 4.16 3.113501854e-01 -2.753572533e-01 -5.730348836e-01 4.18 2.999531059e-01 -2.042164689e-01 -5.324345374e-01 4.20 2.881292405e-01 -1.260906434e-01 -4.821603223e-01 4.22 2.761448091e-01 -4.306426832e-02 -4.214111280e-01 4.24 2.639287007e-01 4.227367662e-02 -3.494678696e-01 4.26 2.512495872e-01 1.269084962e-01 -2.672533896e-01 4.28 2.378392879e-01 2.079765153e-01 -1.778928612e-01 4.30 2.309349051e-01 2.294790067e-01 -8.501763154e-02 4.32 2.247722860e-01 2.476083924e-01 7.878216952e-03 4.34 2.180182684e-01 2.732968829e-01 9.713526445e-02 4.36 2.101893684e-01 2.877232215e-01 1.790253152e-01 4.38 2.008440584e-01 2.894282906e-01 2.498660605e-01 4.40 1.897476007e-01 2.911249256e-01 3.092589491e-01 4.42 1.768709024e-01 2.923599326e-01 3.271295081e-01 4.44 1.624805748e-01 2.926801695e-01 3.350806336e-01 4.46 1.468799057e-01 2.916389778e-01 3.444616481e-01 4.48 1.303720844e-01 2.888195749e-01 3.513202189e-01 4.50 1.132590720e-01 2.838508197e-01 3.549533515e-01 4.52 9.582620405e-02 2.768212659e-01 3.553475711e-01 4.54 7.834743648e-02 2.681294222e-01 3.529543689e-01 4.56 6.106358874e-02 2.581797648e-01 3.484217141e-01 4.58 4.414395966e-02 2.473767219e-01 3.457853122e-01 4.60 2.775720508e-02 2.361247136e-01 3.417997250e-01 4.62 1.217103361e-02 2.248281602e-01 3.366047325e-01 4.64 -2.283966153e-03 2.138841310e-01 3.242138297e-01 4.66 -1.527620895e-02 2.036145456e-01 3.046058034e-01 4.68 -2.647411747e-02 1.942974927e-01 2.911180310e-01 4.70 -3.554609223e-02 1.862105246e-01 2.858729593e-01 4.72 -4.216500593e-02 1.795623352e-01 2.904472202e-01 4.74 -4.619960001e-02 1.742581651e-01 2.894699582e-01 4.76 -4.773508347e-02 1.701199034e-01 2.799496059e-01 4.78 -4.686695279e-02 1.669692595e-01 2.698684695e-01 4.80 -4.379906624e-02 1.646281000e-01 2.636809677e-01 4.82 -3.904025698e-02 1.629176502e-01 2.603531663e-01 4.84 -3.315266025e-02 1.616439066e-01 2.570634370e-01 4.86 -2.669841419e-02 1.605954403e-01 2.535884696e-01 4.88 -2.023957504e-02 1.595599773e-01 2.497050105e-01 4.90 -1.428193517e-02 1.583251947e-01 2.451897593e-01 4.92 -8.867091981e-03 1.566795663e-01 2.398206123e-01 4.94 -3.812921525e-03 1.544774365e-01 2.334742607e-01 4.96 1.057014299e-03 1.516891150e-01 2.262013515e-01 4.98 5.919044333e-03 1.482966835e-01 2.180701899e-01 5.00 1.096254424e-02 1.442822957e-01 2.091491188e-01 5.02 1.638759126e-02 1.396369904e-01 1.995065123e-01 5.04 2.239470413e-02 1.343713792e-01 1.892106322e-01 5.06 2.918270073e-02 1.284987637e-01 1.783298290e-01 5.08 3.601102186e-02 1.220324418e-01 1.669324440e-01 5.10 4.202648043e-02 1.149857002e-01 1.550868065e-01 5.12 4.704899893e-02 1.073718184e-01 1.428612284e-01 5.14 5.089792098e-02 9.920552815e-02 1.303262061e-01 5.16 5.338383946e-02 9.052259776e-02 1.175837838e-01 5.18 5.438019732e-02 8.137480554e-02 1.047600498e-01 5.20 5.402923838e-02 7.183563438e-02 9.198166788e-02 5.22 5.253853329e-02 6.207680886e-02 7.937540393e-02 5.24 5.011558621e-02 5.229839785e-02 6.706789633e-02 5.26 4.696793244e-02 4.270051054e-02 5.518586493e-02 5.28 4.330308898e-02 3.348322242e-02 4.385598021e-02 5.30 3.932859113e-02 2.484665060e-02 3.320496977e-02 5.32 3.733383526e-02 1.699085243e-02 2.335947669e-02 5.34 3.825707999e-02 1.011595206e-02 1.444624282e-02 5.36 3.769329812e-02 4.407638216e-03 6.570389896e-03 5.38 3.585243871e-02 -1.812580838e-04 -2.718871256e-04 5.40 3.302716495e-02 -4.079131103e-03 -6.118696654e-03 5.42 2.948078263e-02 -7.338792766e-03 -1.100818915e-02 5.44 2.546120860e-02 -9.985649779e-03 -1.497847467e-02 5.46 2.121602374e-02 -1.204508842e-02 -1.806763262e-02 5.48 1.700196076e-02 -1.354258280e-02 -2.031387419e-02 5.50 1.308499846e-02 -1.450350447e-02 -2.175525670e-02 5.52 9.766599194e-03 -1.495330284e-02 -2.242995425e-02 5.54 7.344143522e-03 -1.491735341e-02 -2.237603011e-02 5.56 5.608989512e-03 -1.442120000e-02 -2.163180000e-02 5.58 4.008055455e-03 -1.349942148e-02 -2.024913222e-02 5.60 2.545926761e-03 -1.220481763e-02 -1.830722645e-02 5.62 1.234415019e-03 -1.059234074e-02 -1.588851110e-02 5.64 8.532936607e-05 -8.716942714e-03 -1.307541407e-02 5.66 -8.895200671e-04 -6.633578621e-03 -9.950367931e-03 5.68 -1.678324187e-03 -4.397201600e-03 -6.595802400e-03 5.70 -2.269272116e-03 -2.062761548e-03 -3.094142322e-03 5.72 -2.650553715e-03 3.147893603e-04 4.721840404e-04 5.74 -2.810359790e-03 2.680497207e-03 4.020745810e-03 5.76 -2.736879597e-03 4.979413146e-03 7.469119718e-03 5.78 -2.420109553e-03 7.157364062e-03 1.073604609e-02 5.80 -1.882019739e-03 9.174095988e-03 1.376114398e-02 5.82 -1.172000142e-03 1.100128293e-02 1.650192439e-02 5.84 -3.403286023e-04 1.261098258e-02 1.891647386e-02 5.86 5.627153728e-04 1.397525290e-02 2.096287935e-02 5.88 1.486853336e-03 1.506615327e-02 2.259922990e-02 5.90 2.381806671e-03 1.585574082e-02 2.378361123e-02 5.92 3.197297291e-03 1.631607702e-02 2.447411553e-02 5.94 3.883045478e-03 1.641921801e-02 2.462882701e-02 5.96 -2.469876765e-03 1.029826360e-02 2.914648145e-02 5.98 -7.322111697e-03 5.227438216e-03 2.851297817e-02 6.00 -1.043450678e-02 1.438226024e-03 9.550375271e-03