# 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 = MoU3 # 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 7.108206113e+01 nan nan 1.98 4.520315586e+01 nan nan 2.00 2.875341071e+01 nan nan 2.02 1.742687132e+01 nan nan 2.04 1.022708791e+01 nan nan 2.06 6.163506170e+00 nan nan 2.08 4.249300885e+00 nan nan 2.10 3.502333386e+00 nan nan 2.12 3.053813621e+00 nan nan 2.14 2.662823503e+00 nan nan 2.16 2.315434146e+00 nan nan 2.18 1.979709628e+00 5.509692331e+01 nan 2.20 1.621013420e+00 4.112058505e+01 nan 2.22 1.211899008e+00 2.594726282e+01 nan 2.24 7.398409520e-01 1.682136992e+01 2.673316482e+01 2.26 2.332173078e-01 1.038460682e+01 1.736181201e+01 2.28 -2.707032794e-01 6.141006586e+00 1.105321186e+01 2.30 -9.017971845e-01 3.602011637e+00 7.137370517e+00 2.32 -1.484874215e+00 2.268405875e+00 4.962029969e+00 2.34 -2.009820958e+00 1.641788458e+00 3.887639304e+00 2.36 -2.470453260e+00 1.264018477e+00 3.249974384e+00 2.38 -2.868142022e+00 8.932446979e-01 2.647391871e+00 2.40 -3.206249251e+00 5.280151908e-01 2.051559281e+00 2.42 -3.489889556e+00 1.770097722e-01 1.462326172e+00 2.44 -3.723472755e+00 -1.627447358e-01 9.018238110e-01 2.46 -3.911903319e+00 -4.740017405e-01 3.825218281e-01 2.48 -4.060963420e+00 -7.590318176e-01 -8.523699658e-02 2.50 -4.178318175e+00 -1.040276575e+00 -4.941599323e-01 2.52 -4.270328435e+00 -1.314950194e+00 -8.437340227e-01 2.54 -4.341607333e+00 -1.608031134e+00 -1.134964215e+00 2.56 -4.398942927e+00 -1.972954130e+00 -1.411258664e+00 2.58 -4.446988751e+00 -2.342943503e+00 -1.699607465e+00 2.60 -4.489644475e+00 -2.722076254e+00 -1.924380949e+00 2.62 -4.533755854e+00 -3.061584037e+00 -2.107995998e+00 2.64 -4.579529110e+00 -3.355912818e+00 -2.274221639e+00 2.66 -4.619381909e+00 -3.607629661e+00 -2.446400130e+00 2.68 -4.644888944e+00 -3.820728538e+00 -2.646425901e+00 2.70 -4.646396452e+00 -3.999228686e+00 -2.881841442e+00 2.72 -4.622307758e+00 -4.148270731e+00 -3.135256952e+00 2.74 -4.582918356e+00 -4.270944914e+00 -3.384654051e+00 2.76 -4.529285330e+00 -4.370916070e+00 -3.607288932e+00 2.78 -4.464657206e+00 -4.452840387e+00 -3.787756435e+00 2.80 -4.390618852e+00 -4.521590556e+00 -3.942833963e+00 2.82 -4.308828700e+00 -4.579920544e+00 -4.076010412e+00 2.84 -4.222147587e+00 -4.628242372e+00 -4.187116826e+00 2.86 -4.134056079e+00 -4.665982950e+00 -4.277590239e+00 2.88 -4.048535708e+00 -4.692205397e+00 -4.349627537e+00 2.90 -3.969387173e+00 -4.706161493e+00 -4.404958700e+00 2.92 -3.899365805e+00 -4.709229815e+00 -4.445736507e+00 2.94 -3.840192892e+00 -4.703405872e+00 -4.473940168e+00 2.96 -3.792956145e+00 -4.690370723e+00 -4.490417060e+00 2.98 -3.757892728e+00 -4.671606972e+00 -4.494562935e+00 3.00 -3.732388443e+00 -4.648585861e+00 -4.486140694e+00 3.02 -3.714265746e+00 -4.622489509e+00 -4.464741569e+00 3.04 -3.703616931e+00 -4.593452232e+00 -4.430915843e+00 3.06 -3.699929423e+00 -4.560934253e+00 -4.386453370e+00 3.08 -3.701805570e+00 -4.524539255e+00 -4.334703884e+00 3.10 -3.706840939e+00 -4.484133068e+00 -4.280811920e+00 3.12 -3.708129185e+00 -4.440555164e+00 -4.228210864e+00 3.14 -3.699888427e+00 -4.393055535e+00 -4.178565348e+00 3.16 -3.679823531e+00 -4.338757984e+00 -4.134481703e+00 3.18 -3.647300143e+00 -4.275785049e+00 -4.098617473e+00 3.20 -3.602728508e+00 -4.204260037e+00 -4.073042056e+00 3.22 -3.547258356e+00 -4.127089254e+00 -4.058598058e+00 3.24 -3.483013958e+00 -4.049868685e+00 -4.054449314e+00 3.26 -3.411243636e+00 -3.975941367e+00 -4.058296586e+00 3.28 -3.332496089e+00 -3.905770433e+00 -4.067048384e+00 3.30 -3.247407703e+00 -3.839867747e+00 -4.077100127e+00 3.32 -3.156842301e+00 -3.778441173e+00 -4.084553450e+00 3.34 -3.057292499e+00 -3.721615804e+00 -4.085646490e+00 3.36 -2.948749973e+00 -3.668984330e+00 -4.077239041e+00 3.38 -2.832067012e+00 -3.619552920e+00 -4.056697567e+00 3.40 -2.707920220e+00 -3.572255233e+00 -4.022751899e+00 3.42 -2.577020092e+00 -3.525920438e+00 -3.975043248e+00 3.44 -2.440323644e+00 -3.479200060e+00 -3.913405742e+00 3.46 -2.300150373e+00 -3.431171784e+00 -3.837124284e+00 3.48 -2.159370512e+00 -3.380947938e+00 -3.745264133e+00 3.50 -2.022058496e+00 -3.327495929e+00 -3.638522863e+00 3.52 -1.891526726e+00 -3.269568283e+00 -3.518030851e+00 3.54 -1.769390157e+00 -3.206453637e+00 -3.387370177e+00 3.56 -1.657130754e+00 -3.138194595e+00 -3.253576774e+00 3.58 -1.555925240e+00 -3.063860460e+00 -3.126942977e+00 3.60 -1.466693439e+00 -2.982732023e+00 -3.009333529e+00 3.62 -1.389605202e+00 -2.894492768e+00 -2.899227965e+00 3.64 -1.323842300e+00 -2.799218766e+00 -2.798832916e+00 3.66 -1.268274017e+00 -2.696773763e+00 -2.709744767e+00 3.68 -1.221532779e+00 -2.586961700e+00 -2.632317869e+00 3.70 -1.180295312e+00 -2.473561537e+00 -2.566535663e+00 3.72 -1.140512222e+00 -2.362168254e+00 -2.512143017e+00 3.74 -1.098449626e+00 -2.257203205e+00 -2.468696718e+00 3.76 -1.051430274e+00 -2.163053919e+00 -2.435607717e+00 3.78 -9.981223422e-01 -2.084467536e+00 -2.412190738e+00 3.80 -9.380663243e-01 -2.025815342e+00 -2.397715883e+00 3.82 -8.714495425e-01 -1.982887201e+00 -2.391425401e+00 3.84 -7.985468747e-01 -1.952871121e+00 -2.392543584e+00 3.86 -7.190900679e-01 -1.934992382e+00 -2.400177599e+00 3.88 -6.350978391e-01 -1.927474000e+00 -2.412294472e+00 3.90 -5.487645808e-01 -1.927913929e+00 -2.426354620e+00 3.92 -4.620301083e-01 -1.933111916e+00 -2.440076761e+00 3.94 -3.766696082e-01 -1.939544582e+00 -2.451425191e+00 3.96 -2.943622891e-01 -1.943914005e+00 -2.458487096e+00 3.98 -2.348601438e-01 -1.943141745e+00 -2.459443971e+00 4.00 -1.761005645e-01 -1.934297805e+00 -2.452553544e+00 4.02 -1.156332487e-01 -1.914465266e+00 -2.436026917e+00 4.04 -5.432505814e-02 -1.880542687e+00 -2.407871698e+00 4.06 8.467850581e-03 -1.828996757e+00 -2.365698942e+00 4.08 7.115132554e-02 -1.756284252e+00 -2.307321143e+00 4.10 9.492634196e-02 -1.661963438e+00 -2.232964122e+00 4.12 8.828535753e-02 -1.547374617e+00 -2.142724603e+00 4.14 8.176213710e-02 -1.414103275e+00 -2.036458053e+00 4.16 7.707007973e-02 -1.264207192e+00 -1.914087205e+00 4.18 7.590676425e-02 -1.100436239e+00 -1.775816720e+00 4.20 7.996361016e-02 -9.263625769e-01 -1.622665393e+00 4.22 9.065918903e-02 -7.464165326e-01 -1.456489782e+00 4.24 1.076148418e-01 -5.658250309e-01 -1.279798949e+00 4.26 1.296287477e-01 -3.904668235e-01 -1.097163217e+00 4.28 1.554984934e-01 -2.361685530e-01 -9.155471589e-01 4.30 1.519054470e-01 -1.395298587e-01 -7.410294447e-01 4.32 1.426642245e-01 -5.115754756e-02 -5.770873613e-01 4.34 1.317136905e-01 -9.826357321e-03 -4.268866077e-01 4.36 1.192531720e-01 1.179183775e-02 -2.934512674e-01 4.38 1.055239778e-01 3.130460102e-02 -1.796079554e-01 4.40 9.097257652e-02 3.812921546e-02 -8.508435065e-02 4.42 7.601358571e-02 4.003327406e-02 -8.222392300e-03 4.44 6.086507989e-02 4.310714665e-02 1.678437101e-02 4.46 4.572087773e-02 4.718189993e-02 2.920886246e-02 4.48 3.077467690e-02 5.205449697e-02 4.286929171e-02 4.50 1.621893895e-02 5.750892071e-02 5.753010968e-02 4.52 2.229517700e-03 6.328886008e-02 7.289533488e-02 4.54 -1.102917915e-02 6.911075403e-02 8.862809931e-02 4.56 -2.342574077e-02 7.469054112e-02 1.035644191e-01 4.58 -3.490039453e-02 7.974420481e-02 9.241699289e-02 4.60 -4.540286770e-02 7.623424564e-02 6.857024858e-02 4.62 -5.488453323e-02 6.991491202e-02 4.603055746e-02 4.64 -6.329802836e-02 6.359583807e-02 2.765726110e-02 4.66 -7.059583547e-02 5.775701518e-02 1.628746787e-02 4.68 -7.673059005e-02 5.291396128e-02 1.474792883e-02 4.70 -8.165479089e-02 4.958629551e-02 2.588328921e-02 4.72 -8.532550455e-02 4.820732493e-02 5.183154477e-02 4.74 -8.789561981e-02 4.879013857e-02 9.144352202e-02 4.76 -8.973448919e-02 5.123881362e-02 1.426935535e-01 4.78 -9.122159233e-02 5.546281883e-02 1.780604765e-01 4.80 -9.269333485e-02 5.312357931e-02 1.853181129e-01 4.82 -9.436492005e-02 4.558353696e-02 1.797875131e-01 4.84 -9.643041726e-02 3.842000666e-02 1.731586500e-01 4.86 -9.908392853e-02 3.186500142e-02 1.656967838e-01 4.88 -1.025194325e-01 2.614730399e-02 1.576672693e-01 4.90 -1.082196213e-01 2.149562603e-02 1.493353731e-01 4.92 -1.118232024e-01 1.813800084e-02 1.409653136e-01 4.94 -1.168147981e-01 1.624027668e-02 1.327280553e-01 4.96 -1.213050276e-01 1.585875624e-02 1.246302344e-01 4.98 -1.247541762e-01 1.703863296e-02 1.166618258e-01 5.00 -1.266918756e-01 1.982436641e-02 1.088128437e-01 5.02 -1.267064457e-01 2.410670188e-02 1.010732452e-01 5.04 -1.243880094e-01 2.943590482e-02 9.343302841e-02 5.06 -1.193283883e-01 3.531657578e-02 8.588216775e-02 5.08 -1.120587353e-01 4.125332636e-02 7.841062813e-02 5.10 -1.032228662e-01 4.675076975e-02 7.100842791e-02 5.12 -9.279146684e-02 5.131350106e-02 6.366553237e-02 5.14 -8.073586114e-02 5.444448446e-02 5.636946342e-02 5.16 -6.703599059e-02 5.562267631e-02 4.907173074e-02 5.18 -5.178763535e-02 5.430862050e-02 4.169636917e-02 5.20 -3.550940861e-02 5.011783133e-02 3.416673902e-02 5.22 -1.882244891e-02 4.338187104e-02 2.640629051e-02 5.24 -2.347950878e-03 3.463946321e-02 1.833831920e-02 5.26 1.329296713e-02 2.442928855e-02 9.886191986e-03 5.28 2.747914596e-02 1.329007846e-02 9.733101345e-04 5.30 3.958944142e-02 1.760525137e-03 -8.476957173e-03 5.32 3.984984409e-02 -9.620698910e-03 -1.854126925e-02 5.34 2.413790294e-02 -2.031485605e-02 -2.929619481e-02 5.36 1.224046683e-02 -2.975709042e-02 -4.077895059e-02 5.38 4.115783280e-03 -3.789822227e-02 -5.282709841e-02 5.40 -8.601348018e-04 -4.615712486e-02 -6.521545229e-02 5.42 -3.323557768e-03 -5.449270255e-02 -7.771881883e-02 5.44 -3.901813751e-03 -6.275477667e-02 -9.011193001e-02 5.46 -3.222448508e-03 -7.079316599e-02 -1.021695140e-01 5.48 -1.919148714e-03 -7.845776698e-02 -1.136664155e-01 5.50 -6.305408251e-04 -8.559837779e-02 -1.243773317e-01 5.52 -1.181702497e-05 -9.206486197e-02 -1.340770580e-01 5.54 -7.210393889e-04 -9.770703944e-02 -1.425403242e-01 5.56 -2.431480488e-03 -1.023750474e-01 -1.495423362e-01 5.58 -4.032414545e-03 -1.059514436e-01 -1.549069305e-01 5.60 -5.494543239e-03 -1.083836538e-01 -1.585552456e-01 5.62 -6.806054981e-03 -1.096267162e-01 -1.604198392e-01 5.64 -7.955140634e-03 -1.096357146e-01 -1.604333369e-01 5.66 -8.929990067e-03 -1.083657369e-01 -1.585283703e-01 5.68 -9.718794187e-03 -1.057718593e-01 -1.546375540e-01 5.70 -1.030974212e-02 -1.018091403e-01 -1.486934754e-01 5.72 -1.069102371e-02 -9.643264123e-02 -1.406287268e-01 5.74 -1.085082979e-02 -8.959745972e-02 -1.303759546e-01 5.76 -1.077734960e-02 -8.125868048e-02 -1.178677857e-01 5.78 -1.046057955e-02 -7.138495298e-02 -1.030571945e-01 5.80 -9.922489739e-03 -6.018608772e-02 -8.625889658e-02 5.82 -9.212470142e-03 -4.807861576e-02 -6.809768864e-02 5.84 -8.380798602e-03 -3.548579851e-02 -4.920846276e-02 5.86 -7.477754627e-03 -2.283085055e-02 -3.022604083e-02 5.88 -6.553616664e-03 -1.053703032e-02 -1.178531048e-02 5.90 -5.658663329e-03 9.724235847e-04 5.478870377e-03 5.92 -4.843172709e-03 1.127427137e-02 2.093164206e-02 5.94 -4.157424522e-03 1.994526888e-02 3.393813833e-02 5.96 -1.051034677e-02 2.868716544e-03 2.096409569e-02 5.98 -1.536258170e-02 -1.065657271e-02 -1.119417825e-02 6.00 -1.847497678e-02 -2.510321690e-02 -3.362819884e-02