# 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 = Mo3Xe # 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 1.521904327e+01 nan nan 1.96 1.343785030e+01 nan nan 1.98 1.183313980e+01 nan nan 2.00 1.046329973e+01 nan nan 2.02 9.177379799e+00 nan nan 2.04 7.985162662e+00 nan nan 2.06 6.896347961e+00 nan nan 2.08 5.886706811e+00 nan nan 2.10 4.952466771e+00 1.654765862e+01 nan 2.12 4.089508536e+00 1.483192298e+01 nan 2.14 3.298725781e+00 1.322392998e+01 nan 2.16 2.582815968e+00 1.175871263e+01 1.637858187e+01 2.18 1.925506385e+00 1.044666246e+01 1.471945201e+01 2.20 1.331989910e+00 9.224442798e+00 1.310408158e+01 2.22 8.039897494e-01 8.091631855e+00 1.169049261e+01 2.24 3.341263774e-01 7.058073227e+00 1.043640333e+01 2.26 -9.322740710e-02 6.110328380e+00 9.276244304e+00 2.28 -4.887254725e-01 5.237301082e+00 8.233608758e+00 2.30 -8.551923809e-01 4.435313787e+00 7.298955702e+00 2.32 -1.192647026e+00 3.704458889e+00 6.432250801e+00 2.34 -1.494663199e+00 3.049287829e+00 5.595643672e+00 2.36 -1.763312739e+00 2.456055045e+00 4.785992775e+00 2.38 -1.999798010e+00 1.913213328e+00 4.028063556e+00 2.40 -2.205292020e+00 1.410976242e+00 3.325299999e+00 2.42 -2.380717063e+00 9.445606727e-01 2.670422898e+00 2.44 -2.526991218e+00 5.118567739e-01 2.064351902e+00 2.46 -2.646665685e+00 1.003378017e-01 1.508825539e+00 2.48 -2.743472590e+00 -2.910882346e-01 1.001827135e+00 2.50 -2.821317437e+00 -6.530498375e-01 5.402599419e-01 2.52 -2.885162572e+00 -9.864394956e-01 1.197999760e-01 2.54 -2.939167154e+00 -1.290860439e+00 -2.641056557e-01 2.56 -2.983838363e+00 -1.566526067e+00 -6.131124835e-01 2.58 -3.019037755e+00 -1.814165227e+00 -9.297202439e-01 2.60 -3.043591891e+00 -2.034612237e+00 -1.216843123e+00 2.62 -3.054390451e+00 -2.228875179e+00 -1.474704750e+00 2.64 -3.050287543e+00 -2.398581048e+00 -1.702871002e+00 2.66 -3.033410022e+00 -2.546073359e+00 -1.900946171e+00 2.68 -3.006683372e+00 -2.673429926e+00 -2.068379536e+00 2.70 -2.973779643e+00 -2.782464199e+00 -2.206731244e+00 2.72 -2.937308422e+00 -2.874647274e+00 -2.322491895e+00 2.74 -2.897398060e+00 -2.951083924e+00 -2.422037040e+00 2.76 -2.855740139e+00 -3.012175262e+00 -2.510691148e+00 2.78 -2.812838550e+00 -3.057919715e+00 -2.591783017e+00 2.80 -2.770367429e+00 -3.088360121e+00 -2.660461264e+00 2.82 -2.728580959e+00 -3.104146365e+00 -2.717533351e+00 2.84 -2.686179908e+00 -3.106208483e+00 -2.765536286e+00 2.86 -2.641313397e+00 -3.095784057e+00 -2.806586153e+00 2.88 -2.592089350e+00 -3.074586709e+00 -2.842286859e+00 2.90 -2.537897638e+00 -3.044653314e+00 -2.874348531e+00 2.92 -2.478099249e+00 -3.007155863e+00 -2.903790627e+00 2.94 -2.411942201e+00 -2.964223892e+00 -2.931659007e+00 2.96 -2.338736607e+00 -2.918681443e+00 -2.959269696e+00 2.98 -2.258063442e+00 -2.873534714e+00 -2.987762303e+00 3.00 -2.171051833e+00 -2.831538401e+00 -3.016872293e+00 3.02 -2.079238246e+00 -2.795907395e+00 -3.045038540e+00 3.04 -1.983518393e+00 -2.768253602e+00 -3.069769374e+00 3.06 -1.884681231e+00 -2.746839014e+00 -3.088180672e+00 3.08 -1.783456075e+00 -2.729360351e+00 -3.096989171e+00 3.10 -1.680521754e+00 -2.713263676e+00 -3.092695752e+00 3.12 -1.579297634e+00 -2.696819967e+00 -3.075842652e+00 3.14 -1.483092388e+00 -2.678437540e+00 -3.047439726e+00 3.16 -1.393682379e+00 -2.657207486e+00 -3.007095021e+00 3.18 -1.313339683e+00 -2.631857960e+00 -2.954367343e+00 3.20 -1.244483793e+00 -2.600669121e+00 -2.889050644e+00 3.22 -1.188305858e+00 -2.561654172e+00 -2.811542223e+00 3.24 -1.142025426e+00 -2.512880315e+00 -2.723769946e+00 3.26 -1.101888184e+00 -2.456555636e+00 -2.628753482e+00 3.28 -1.063906685e+00 -2.393557205e+00 -2.529829256e+00 3.30 -1.023898086e+00 -2.323616875e+00 -2.430647519e+00 3.32 -9.785533162e-01 -2.247283491e+00 -2.335228969e+00 3.34 -9.338668340e-01 -2.165195698e+00 -2.247885728e+00 3.36 -8.918710146e-01 -2.078193569e+00 -2.170553875e+00 3.38 -8.528966546e-01 -1.987357528e+00 -2.102511175e+00 3.40 -8.172729281e-01 -1.893861258e+00 -2.042754709e+00 3.42 -7.853260037e-01 -1.799007766e+00 -1.990142498e+00 3.44 -7.573403313e-01 -1.704306131e+00 -1.943225646e+00 3.46 -7.338110932e-01 -1.610991191e+00 -1.899811510e+00 3.48 -7.146600971e-01 -1.520264944e+00 -1.857882243e+00 3.50 -6.993296061e-01 -1.433372163e+00 -1.816032577e+00 3.52 -6.871214590e-01 -1.351588336e+00 -1.772918250e+00 3.54 -6.772204959e-01 -1.275987979e+00 -1.727094692e+00 3.56 -6.688034407e-01 -1.206958240e+00 -1.676988040e+00 3.58 -6.610798231e-01 -1.144506633e+00 -1.620945470e+00 3.60 -6.536282178e-01 -1.088606004e+00 -1.563537357e+00 3.62 -6.457748188e-01 -1.039217424e+00 -1.508287395e+00 3.64 -6.367937957e-01 -9.962863558e-01 -1.455245427e+00 3.66 -6.233753413e-01 -9.597973262e-01 -1.404069950e+00 3.68 -6.057771170e-01 -9.295530889e-01 -1.354245940e+00 3.70 -5.855011053e-01 -9.038203200e-01 -1.305223336e+00 3.72 -5.627733088e-01 -8.802579211e-01 -1.256417567e+00 3.74 -5.378211549e-01 -8.566564846e-01 -1.207218795e+00 3.76 -5.108722452e-01 -8.308304374e-01 -1.156991608e+00 3.78 -4.821543650e-01 -8.005729370e-01 -1.105083110e+00 3.80 -4.518951020e-01 -7.640492797e-01 -1.051022858e+00 3.82 -4.203233068e-01 -7.252496181e-01 -9.948259898e-01 3.84 -3.877315177e-01 -6.857282734e-01 -9.365798262e-01 3.86 -3.633168807e-01 -6.453303647e-01 -8.764046935e-01 3.88 -3.628652071e-01 -6.041408205e-01 -8.147711407e-01 3.90 -3.627622157e-01 -5.624044212e-01 -7.523652245e-01 3.92 -3.629734937e-01 -5.205226431e-01 -6.898866800e-01 3.94 -3.634645714e-01 -4.789852977e-01 -6.280453669e-01 3.96 -3.642010725e-01 -4.382835402e-01 -5.676225617e-01 3.98 -3.651485757e-01 -3.989044307e-01 -5.094629111e-01 4.00 -3.662726193e-01 -3.712042253e-01 -4.493026029e-01 4.02 -3.675376715e-01 -3.527053745e-01 -3.927608684e-01 4.04 -3.688616421e-01 -3.500710432e-01 -3.414958408e-01 4.06 -3.700995271e-01 -3.555702843e-01 -3.143254550e-01 4.08 -3.710972544e-01 -3.602236878e-01 -3.221565205e-01 4.10 -3.716830352e-01 -3.648332011e-01 -3.303617217e-01 4.12 -3.716806858e-01 -3.693524329e-01 -3.387241500e-01 4.14 -3.709140537e-01 -3.737343601e-01 -3.469902616e-01 4.16 -3.692070256e-01 -3.779319000e-01 -3.549064303e-01 4.18 -3.663834791e-01 -3.818980171e-01 -3.622190597e-01 4.20 -3.622833537e-01 -3.855856295e-01 -3.686745143e-01 4.22 -3.569438466e-01 -3.889477210e-01 -3.740192132e-01 4.24 -3.505374623e-01 -3.919371688e-01 -3.780044553e-01 4.26 -3.432409854e-01 -3.945068310e-01 -3.805639082e-01 4.28 -3.352316128e-01 -3.965843534e-01 -3.818433068e-01 4.30 -3.267048896e-01 -3.980773914e-01 -3.820543049e-01 4.32 -3.178854658e-01 -3.989432092e-01 -3.814941931e-01 4.34 -3.090004807e-01 -3.991441400e-01 -3.804678945e-01 4.36 -3.002770042e-01 -3.986424232e-01 -3.792801640e-01 4.38 -2.919109130e-01 -3.974002413e-01 -3.782421474e-01 4.40 -2.839452440e-01 -3.953799151e-01 -3.772245965e-01 4.42 -2.763603081e-01 -3.925436944e-01 -3.756599895e-01 4.44 -2.691036511e-01 -3.888538418e-01 -3.736127173e-01 4.46 -2.621187800e-01 -3.842997906e-01 -3.711542798e-01 4.48 -2.553491541e-01 -3.789957871e-01 -3.683562629e-01 4.50 -2.487377675e-01 -3.730907040e-01 -3.652886711e-01 4.52 -2.422198934e-01 -3.667217267e-01 -3.620040446e-01 4.54 -2.357260680e-01 -3.600182021e-01 -3.585430188e-01 4.56 -2.292151496e-01 -3.531092261e-01 -3.549459930e-01 4.58 -2.227079070e-01 -3.461239261e-01 -3.512533593e-01 4.60 -2.162369861e-01 -3.391914655e-01 -3.475055391e-01 4.62 -2.098795877e-01 -3.324409832e-01 -3.437429502e-01 4.64 -2.037410481e-01 -3.259931312e-01 -3.400059963e-01 4.66 -1.979272176e-01 -3.198821877e-01 -3.363350668e-01 4.68 -1.925438528e-01 -3.140920674e-01 -3.327705745e-01 4.70 -1.876968066e-01 -3.086060445e-01 -3.293529300e-01 4.72 -1.834861732e-01 -3.034039551e-01 -3.261173889e-01 4.74 -1.799026997e-01 -2.984503645e-01 -3.230762626e-01 4.76 -1.768294502e-01 -2.937056752e-01 -3.202356607e-01 4.78 -1.741445935e-01 -2.891303043e-01 -3.176017088e-01 4.80 -1.717056005e-01 -2.846846036e-01 -3.151804340e-01 4.82 -1.693116500e-01 -2.803304392e-01 -3.129779059e-01 4.84 -1.667517919e-01 -2.760727131e-01 -3.110003118e-01 4.86 -1.635770419e-01 -2.719646511e-01 -3.092536580e-01 4.88 -1.597636132e-01 -2.680621733e-01 -3.077440679e-01 4.90 -1.553767252e-01 -2.644211466e-01 -3.064775613e-01 4.92 -1.505018122e-01 -2.610972002e-01 -3.054598335e-01 4.94 -1.453541803e-01 -2.581195030e-01 -3.046568401e-01 4.96 -1.400677554e-01 -2.554705975e-01 -3.039646828e-01 4.98 -1.344843735e-01 -2.531284066e-01 -3.032724582e-01 5.00 -1.291865797e-01 -2.510705015e-01 -3.024691246e-01 5.02 -1.244911447e-01 -2.492244431e-01 -3.014437346e-01 5.04 -1.207161165e-01 -2.474068579e-01 -3.000853541e-01 5.06 -1.181779262e-01 -2.454194834e-01 -2.982829969e-01 5.08 -1.162457708e-01 -2.430640483e-01 -2.959257182e-01 5.10 -1.142423882e-01 -2.401423160e-01 -2.929025467e-01 5.12 -1.121986158e-01 -2.364560273e-01 -2.891025402e-01 5.14 -1.101470769e-01 -2.318128488e-01 -2.844236276e-01 5.16 -1.081458393e-01 -2.261084732e-01 -2.788957463e-01 5.18 -1.062459522e-01 -2.193053873e-01 -2.726491407e-01 5.20 -1.043963197e-01 -2.114192403e-01 -2.658165496e-01 5.22 -1.025209031e-01 -2.027027373e-01 -2.585307010e-01 5.24 -1.005437300e-01 -1.934772793e-01 -2.509244387e-01 5.26 -9.838878802e-02 -1.840641372e-01 -2.431304417e-01 5.28 -9.598012182e-02 -1.747846690e-01 -2.352815252e-01 5.30 -9.324169327e-02 -1.659601906e-01 -2.275104317e-01 5.32 -9.009753668e-02 -1.579120090e-01 -2.199499014e-01 5.34 -8.647162476e-02 -1.509614869e-01 -2.127327516e-01 5.36 -8.228871080e-02 -1.454133381e-01 -2.059668955e-01 5.38 -7.759069960e-02 -1.411305363e-01 -1.996350995e-01 5.40 -7.256757670e-02 -1.371609203e-01 -1.936806755e-01 5.42 -6.741751625e-02 -1.334050561e-01 -1.880468791e-01 5.44 -6.233869973e-02 -1.305980142e-01 -1.823365267e-01 5.46 -5.752929139e-02 -1.276487480e-01 -1.769566151e-01 5.48 -5.318745880e-02 -1.244575589e-01 -1.718781197e-01 5.50 -4.951139002e-02 -1.210131778e-01 -1.670327397e-01 5.52 -4.669924857e-02 -1.173042768e-01 -1.623519518e-01 5.54 -4.501366808e-02 -1.133194797e-01 -1.577670271e-01 5.56 -4.392132011e-02 -1.099233186e-01 -1.528242729e-01 5.58 -4.291688137e-02 -1.065424302e-01 -1.477529403e-01 5.60 -4.193633627e-02 -1.031376155e-01 -1.426457183e-01 5.62 -4.098712004e-02 -9.975374001e-02 -1.375699050e-01 5.64 -4.007666484e-02 -9.643573624e-02 -1.325928994e-01 5.66 -3.921240194e-02 -9.322849836e-02 -1.277820425e-01 5.68 -3.840176409e-02 -9.017689395e-02 -1.232046359e-01 5.70 -3.765218387e-02 -8.732584651e-02 -1.189280648e-01 5.72 -3.697109401e-02 -8.472023588e-02 -1.150196488e-01 5.74 -3.636591913e-02 -8.240495705e-02 -1.115467306e-01 5.76 -3.584409925e-02 -8.042493212e-02 -1.085766932e-01 5.78 -3.541220007e-02 -7.882058663e-02 -1.061701749e-01 5.80 -3.506152142e-02 -7.755385846e-02 -1.042700827e-01 5.82 -3.477027740e-02 -7.651928295e-02 -1.027182194e-01 5.84 -3.451624128e-02 -7.560924581e-02 -1.013531637e-01 5.86 -3.427719477e-02 -7.471607417e-02 -1.000134063e-01 5.88 -3.403091878e-02 -7.373216057e-02 -9.853753586e-02 5.90 -3.375520860e-02 -7.254990438e-02 -9.676415157e-02 5.92 -3.342783184e-02 -7.106162275e-02 -9.453172912e-02 5.94 -3.302656898e-02 -6.915967208e-02 -9.167880313e-02 5.96 -3.252921282e-02 -6.673647885e-02 -8.804401327e-02 5.98 -3.191353702e-02 -6.368434799e-02 -8.346581699e-02 6.00 -3.116422011e-02 -5.993046455e-02 -7.783499182e-02