# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Smirnova-D-E-Starikov-S-V-Vlasova-A-M--Mg-H # implementation = 2018--Smirnova-D-E--Mg-H--LAMMPS--ipr1 # composition = H # 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 A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan 1.252108792e+01 nan 0.80 nan nan nan nan nan nan nan nan 1.114089595e+01 nan 0.82 nan nan nan nan nan nan nan nan 9.890167529e+00 nan 0.84 nan nan nan nan nan 7.098804869e+00 nan nan 8.764547251e+00 nan 0.86 nan nan nan nan nan 6.255944343e+00 nan nan 7.768978293e+00 nan 0.88 nan nan nan nan nan 5.512811338e+00 nan nan 6.887320217e+00 nan 0.90 nan nan nan nan nan 4.867905242e+00 nan nan 6.099914907e+00 nan 0.92 nan nan nan nan nan 4.303321279e+00 nan nan 5.387491158e+00 nan 0.94 nan nan nan nan nan 3.786764067e+00 nan nan 4.733268363e+00 nan 0.96 nan 7.285976314e+00 nan 1.277648466e+01 1.277129554e+01 3.295929463e+00 nan nan 4.123448909e+00 7.213720511e+00 0.98 nan 6.473505395e+00 nan 1.165959585e+01 1.165587229e+01 2.820920298e+00 6.532936337e+00 nan 3.566602854e+00 6.446700780e+00 1.00 nan 5.724846814e+00 nan 1.062268455e+01 1.062040821e+01 2.351538181e+00 5.821622846e+00 nan 3.057574122e+00 5.737252516e+00 1.02 nan 5.040398791e+00 nan 9.655387492e+00 9.657622223e+00 1.914382296e+00 5.169197820e+00 nan 2.596942877e+00 5.089133723e+00 1.04 nan 4.418473508e+00 nan 8.747413070e+00 8.751775219e+00 1.519253422e+00 4.570121127e+00 nan 2.185450499e+00 4.504794137e+00 1.06 nan 3.850677985e+00 nan 7.900371176e+00 7.901489994e+00 1.161608725e+00 4.024127439e+00 nan 1.812815745e+00 3.973382214e+00 1.08 nan 3.325620170e+00 6.036460291e+00 7.120470870e+00 7.119836651e+00 8.289745970e-01 3.534945542e+00 6.368861520e+00 1.468716006e+00 3.480525437e+00 1.10 6.423407678e+00 2.835815410e+00 5.372586907e+00 6.408489167e+00 6.411730140e+00 5.145279475e-01 3.086168340e+00 5.697514041e+00 1.143645609e+00 3.024843766e+00 1.12 5.759941982e+00 2.385983015e+00 4.756017937e+00 5.754898966e+00 5.763095107e+00 2.177415882e-01 2.664624319e+00 5.076932447e+00 8.348831286e-01 2.608358346e+00 1.14 5.140012094e+00 1.977320338e+00 4.194358349e+00 5.144343073e+00 5.152367795e+00 -5.808538124e-02 2.270147194e+00 4.504540323e+00 5.473543848e-01 2.222312346e+00 1.16 4.573715551e+00 1.611579960e+00 3.687996470e+00 4.581324081e+00 4.584364877e+00 -3.119302881e-01 1.903220858e+00 3.979330693e+00 2.819324224e-01 1.866567804e+00 1.18 4.057498753e+00 1.281350424e+00 3.230537546e+00 4.063427981e+00 4.061136664e+00 -5.433269006e-01 1.559859810e+00 3.502638605e+00 3.612629900e-02 1.534012148e+00 1.20 3.582629569e+00 9.827056487e-01 2.810370524e+00 3.584548892e+00 3.578155972e+00 -7.542887219e-01 1.237402904e+00 3.067099327e+00 -1.942048318e-01 1.231513850e+00 1.22 3.144702769e+00 7.102709165e-01 2.419800748e+00 3.139965514e+00 3.129702513e+00 -9.491704495e-01 9.345344174e-01 2.660929777e+00 -4.151078439e-01 9.555123564e-01 1.24 2.738834859e+00 4.618197448e-01 2.056366603e+00 2.726457150e+00 2.713641155e+00 -1.131612009e+00 6.581617859e-01 2.279811611e+00 -6.302473268e-01 6.967434151e-01 1.26 2.360083936e+00 2.330660709e-01 1.715847194e+00 2.345178503e+00 2.332419358e+00 -1.307822113e+00 4.112143969e-01 1.922907908e+00 -8.335226226e-01 4.467159989e-01 1.28 2.005984174e+00 2.146561877e-02 1.399114676e+00 1.995921921e+00 1.987675271e+00 -1.480227501e+00 1.865098909e-01 1.590992646e+00 -1.020648948e+00 2.038321242e-01 1.30 1.675822556e+00 -1.744019530e-01 1.105106262e+00 1.674369865e+00 1.675278534e+00 -1.700609956e+00 -2.277966702e-02 1.280545301e+00 -1.190211867e+00 -2.954103373e-02 1.32 1.363862761e+00 -3.576312740e-01 8.314641470e-01 1.373468538e+00 1.385250997e+00 -1.825930836e+00 -2.155561768e-01 9.872497565e-01 -1.346682803e+00 -2.518112075e-01 1.34 1.068570000e+00 -5.237271242e-01 5.780486012e-01 1.088151903e+00 1.107993240e+00 -1.952542430e+00 -3.987822557e-01 7.101706349e-01 -1.540491916e+00 -4.607564223e-01 1.36 7.917314334e-01 -6.761413469e-01 3.501605783e-01 8.156904608e-01 8.371193997e-01 -2.083963502e+00 -5.759605907e-01 4.550560376e-01 -1.639172666e+00 -6.547775003e-01 1.38 5.352914713e-01 -8.172018483e-01 1.466491914e-01 5.584451535e-01 5.770209001e-01 -2.211967479e+00 -7.462495484e-01 2.272739315e-01 -1.743009702e+00 -8.347231281e-01 1.40 3.012254212e-01 -9.472553481e-01 -4.161928944e-02 3.213749679e-01 3.359912742e-01 -2.331196938e+00 -9.088258900e-01 2.758850339e-02 -1.855666046e+00 -1.001212732e+00 1.42 9.186206714e-02 -1.065951508e+00 -2.159813583e-01 1.072510404e-01 1.177408148e-01 -2.436753715e+00 -1.064316088e+00 -1.500118278e-01 -1.970924040e+00 -1.153144911e+00 1.44 -9.330462989e-02 -1.227991028e+00 -3.807105979e-01 -8.431062703e-02 -7.846899640e-02 -2.525897538e+00 -1.213065081e+00 -3.107994725e-01 -2.087039946e+00 -1.292262969e+00 1.46 -2.566736662e-01 -1.313628954e+00 -5.322030012e-01 -2.559400100e-01 -2.558678611e-01 -2.597022847e+00 -1.406764033e+00 -4.556315181e-01 -2.200714978e+00 -1.476083672e+00 1.48 -4.006761645e-01 -1.379696883e+00 -6.696367924e-01 -4.107979567e-01 -4.175817718e-01 -2.650387559e+00 -1.510039852e+00 -5.869623549e-01 -2.309429384e+00 -1.565194831e+00 1.50 -5.316809598e-01 -1.462909241e+00 -7.938084365e-01 -5.524389152e-01 -5.661050359e-01 -2.685485034e+00 -1.595327891e+00 -7.094834214e-01 -2.406314638e+00 -1.653494971e+00 1.52 -6.537863615e-01 -1.563790978e+00 -9.088621664e-01 -6.813161371e-01 -6.997081359e-01 -2.704879689e+00 -1.690826432e+00 -8.262904417e-01 -2.486276877e+00 -1.757827610e+00 1.54 -7.699192840e-01 -1.677717858e+00 -1.018069001e+00 -7.985837596e-01 -8.182657938e-01 -2.712968666e+00 -1.794518369e+00 -9.386069009e-01 -2.544896573e+00 -1.872372769e+00 1.56 -8.812046675e-01 -1.801606183e+00 -1.124212049e+00 -9.065718304e-01 -9.246319849e-01 -2.710463478e+00 -1.904415694e+00 -1.051921861e+00 -2.581620747e+00 -1.989682465e+00 1.58 -9.910740972e-01 -1.931189363e+00 -1.275597692e+00 -1.008599028e+00 -1.022714317e+00 -2.698672089e+00 -2.015714185e+00 -1.209782080e+00 -2.600222623e+00 -2.103928378e+00 1.60 -1.100389845e+00 -2.060248825e+00 -1.342401193e+00 -1.106514058e+00 -1.115212959e+00 -2.677611490e+00 -2.122934583e+00 -1.313098373e+00 -2.604226640e+00 -2.209588619e+00 1.62 -1.272102700e+00 -2.183216433e+00 -1.422470221e+00 -1.265104265e+00 -1.267220886e+00 -2.651511503e+00 -2.224417060e+00 -1.393199287e+00 -2.599002166e+00 -2.304965474e+00 1.64 -1.360721782e+00 -2.289858574e+00 -1.519781316e+00 -1.339685813e+00 -1.335107095e+00 -2.618847020e+00 -2.312528548e+00 -1.482985477e+00 -2.585647808e+00 -2.380937690e+00 1.66 -1.445148412e+00 -2.374330029e+00 -1.632999032e+00 -1.415338386e+00 -1.404092656e+00 -2.584829575e+00 -2.387491682e+00 -1.585167088e+00 -2.568412376e+00 -2.438965996e+00 1.68 -1.535665157e+00 -2.436013430e+00 -1.755132464e+00 -1.503314752e+00 -1.486325402e+00 -2.551875901e+00 -2.448702568e+00 -1.692224411e+00 -2.549546009e+00 -2.480746293e+00 1.70 -1.631362416e+00 -2.478860060e+00 -1.879607402e+00 -1.601407779e+00 -1.580632762e+00 -2.519897293e+00 -2.496529062e+00 -1.799149848e+00 -2.529218368e+00 -2.511331493e+00 1.72 -1.730366090e+00 -2.508760769e+00 -2.000221450e+00 -1.706253027e+00 -1.684213651e+00 -2.490417998e+00 -2.529608452e+00 -1.903464134e+00 -2.504665769e+00 -2.531901407e+00 1.74 -1.830351762e+00 -2.528931966e+00 -2.111406869e+00 -1.815241628e+00 -1.794621616e+00 -2.462614890e+00 -2.547885252e+00 -2.004746845e+00 -2.477268376e+00 -2.545140561e+00 1.76 -1.929586645e+00 -2.539123223e+00 -2.208373849e+00 -1.924147421e+00 -1.907067735e+00 -2.429884546e+00 -2.552892667e+00 -2.102040418e+00 -2.449007386e+00 -2.553681870e+00 1.78 -2.026668581e+00 -2.540083230e+00 -2.287387869e+00 -2.027986664e+00 -2.015541033e+00 -2.391341087e+00 -2.548418301e+00 -2.191728535e+00 -2.419967238e+00 -2.556829274e+00 1.80 -2.118987933e+00 -2.533914907e+00 -2.348675316e+00 -2.123838097e+00 -2.116406407e+00 -2.348480379e+00 -2.538871589e+00 -2.271343844e+00 -2.390775432e+00 -2.555319872e+00 1.82 -2.203866720e+00 -2.524584549e+00 -2.395953763e+00 -2.209940340e+00 -2.207522096e+00 -2.303039785e+00 -2.529239043e+00 -2.339395774e+00 -2.363186290e+00 -2.549536118e+00 1.84 -2.279459527e+00 -2.515172090e+00 -2.434090475e+00 -2.286167435e+00 -2.288699823e+00 -2.257244305e+00 -2.521216554e+00 -2.395508080e+00 -2.337918256e+00 -2.540023117e+00 1.86 -2.345061248e+00 -2.507600318e+00 -2.466321733e+00 -2.352943136e+00 -2.360300516e+00 -2.211778097e+00 -2.511457251e+00 -2.441167027e+00 -2.312498608e+00 -2.527905199e+00 1.88 -2.400868408e+00 -2.501632333e+00 -2.492305244e+00 -2.408866796e+00 -2.420282278e+00 -2.162953859e+00 -2.498927358e+00 -2.476903629e+00 -2.283203473e+00 -2.514565033e+00 1.90 -2.447519436e+00 -2.493574386e+00 -2.513998157e+00 -2.453776579e+00 -2.467792123e+00 -2.112387654e+00 -2.483664969e+00 -2.503102954e+00 -2.249586050e+00 -2.500986719e+00 1.92 -2.484635962e+00 -2.478653175e+00 -2.532792125e+00 -2.487842718e+00 -2.502561974e+00 -2.061758883e+00 -2.465361996e+00 -2.519848561e+00 -2.212424269e+00 -2.485397034e+00 1.94 -2.511495261e+00 -2.452788339e+00 -2.548654095e+00 -2.511216236e+00 -2.524663683e+00 -2.011782066e+00 -2.443448660e+00 -2.527647737e+00 -2.173496753e+00 -2.465484596e+00 1.96 -2.528771046e+00 -2.413468930e+00 -2.559507024e+00 -2.525584518e+00 -2.536282262e+00 -1.959216798e+00 -2.418795062e+00 -2.528396479e+00 -2.132970287e+00 -2.441955042e+00 1.98 -2.537064880e+00 -2.360690673e+00 -2.563755162e+00 -2.532444680e+00 -2.539855484e+00 -1.903410086e+00 -2.392004027e+00 -2.524164381e+00 -2.089360389e+00 -2.415999519e+00 2.00 -2.537028619e+00 -2.296586829e+00 -2.559928029e+00 -2.533173419e+00 -2.537845799e+00 -1.844011486e+00 -2.361875073e+00 -2.516126362e+00 -2.042441654e+00 -2.388957156e+00 2.02 -2.528553460e+00 -2.225390726e+00 -2.547487144e+00 -2.528868063e+00 -2.532195289e+00 -1.780858467e+00 -2.328034155e+00 -2.504760675e+00 -1.991909412e+00 -2.357429919e+00 2.04 -2.514745374e+00 -2.153820425e+00 -2.527289724e+00 -2.521531896e+00 -2.524877808e+00 -1.714563383e+00 -2.292167727e+00 -2.491946378e+00 -1.937295312e+00 -2.322235993e+00 2.06 -2.498777057e+00 -2.087196627e+00 -2.500591694e+00 -2.511279254e+00 -2.514441755e+00 -1.645754807e+00 -2.251463229e+00 -2.478665034e+00 -1.879993621e+00 -2.285799673e+00 2.08 -2.483338511e+00 -2.025194915e+00 -2.469149815e+00 -2.498961450e+00 -2.501491892e+00 -1.575089525e+00 -2.204030783e+00 -2.465936069e+00 -1.822072705e+00 -2.250814463e+00 2.10 -2.471441329e+00 -1.968492201e+00 -2.434828813e+00 -2.485852501e+00 -2.487110614e+00 -1.503380956e+00 -2.151803087e+00 -2.455032979e+00 -1.766157774e+00 -2.220298641e+00 2.12 -2.462100788e+00 -1.914687294e+00 -2.395365392e+00 -2.471620062e+00 -2.471437902e+00 -1.426790952e+00 -2.097927329e+00 -2.442539526e+00 -1.713642704e+00 -2.189936717e+00 2.14 -2.452263204e+00 -1.861259432e+00 -2.348117311e+00 -2.455462148e+00 -2.454321429e+00 -1.343188463e+00 -2.043907691e+00 -2.425602631e+00 -1.661754112e+00 -2.153704690e+00 2.16 -2.440987804e+00 -1.807749672e+00 -2.295523167e+00 -2.437969157e+00 -2.436424517e+00 -1.257104855e+00 -1.993725348e+00 -2.402446329e+00 -1.609772945e+00 -2.111924674e+00 2.18 -2.427035311e+00 -1.753042734e+00 -2.240873327e+00 -2.419718074e+00 -2.418256092e+00 -1.173583291e+00 -1.948385140e+00 -2.371140781e+00 -1.557414338e+00 -2.066494230e+00 2.20 -2.408996883e+00 -1.696741911e+00 -2.187532865e+00 -2.399060346e+00 -2.397749875e+00 -1.098083686e+00 -1.908833599e+00 -2.330628783e+00 -1.501200869e+00 -2.020044768e+00 2.22 -2.385094120e+00 -1.639860677e+00 -2.139342283e+00 -2.372234574e+00 -2.370691394e+00 -1.036662312e+00 -1.875109216e+00 -2.280611487e+00 -1.438981923e+00 -1.974906823e+00 2.24 -2.352932914e+00 -1.583510612e+00 -2.098305767e+00 -2.337596231e+00 -2.335318364e+00 -9.913254338e-01 -1.843921488e+00 -2.221462764e+00 -1.370178693e+00 -1.931835152e+00 2.26 -2.308599528e+00 -1.525546469e+00 -2.057386599e+00 -2.292987952e+00 -2.290205728e+00 -9.501515104e-01 -1.813812902e+00 -2.154626522e+00 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