# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Olsson-P-A-T--V # implementation = 2009--Olsson-P-A-T--V--LAMMPS--ipr1 # composition = V # 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 8.041472813e+02 nan 0.64 nan nan nan nan nan nan nan nan 7.208985773e+02 nan 0.66 nan nan nan nan nan 5.577429508e+02 nan nan 6.479408496e+02 nan 0.68 nan nan nan nan nan 5.020437501e+02 nan nan 5.837881965e+02 nan 0.70 nan nan nan nan nan 4.529463655e+02 nan nan 5.271338689e+02 nan 0.72 nan nan nan nan nan 4.095580976e+02 nan nan 4.769210671e+02 nan 0.74 nan nan nan nan nan 3.710570045e+02 nan nan 4.322837638e+02 nan 0.76 nan nan nan 8.208481599e+02 8.207737274e+02 3.367486605e+02 nan nan 3.924757750e+02 nan 0.78 nan 5.002442818e+02 nan 7.505683781e+02 7.505170995e+02 3.060854390e+02 5.103801733e+02 nan 3.568580270e+02 5.034934205e+02 0.80 nan 4.566478787e+02 nan 6.874106187e+02 6.874084588e+02 2.786051646e+02 4.661076055e+02 nan 3.248979886e+02 4.598736790e+02 0.82 nan 4.174455964e+02 nan 6.305165080e+02 6.305646758e+02 2.539107454e+02 4.263050384e+02 nan 2.961504432e+02 4.206887517e+02 0.84 nan 3.821219121e+02 nan 5.791555007e+02 5.792386989e+02 2.316757967e+02 3.904727507e+02 nan 2.702496414e+02 3.853704025e+02 0.86 5.326504087e+02 3.502487353e+02 4.811048463e+02 5.326973024e+02 5.327857670e+02 2.116319807e+02 3.581465286e+02 4.965443081e+02 2.468781087e+02 3.534289177e+02 0.88 4.906071355e+02 3.214340676e+02 4.427713608e+02 4.905973615e+02 4.906577953e+02 1.935396185e+02 3.288775729e+02 4.570879367e+02 2.257667931e+02 3.244596636e+02 0.90 4.524243746e+02 2.953124648e+02 4.080254421e+02 4.523769492e+02 4.523858198e+02 1.771561836e+02 3.022830748e+02 4.212713070e+02 2.066791620e+02 2.981338212e+02 0.92 4.176760833e+02 2.715769636e+02 3.764302829e+02 4.176221628e+02 4.175796179e+02 1.622720181e+02 2.780582475e+02 3.887049716e+02 1.894064190e+02 2.741663098e+02 0.94 3.860157428e+02 2.499734077e+02 3.476282970e+02 3.859715215e+02 3.858956277e+02 1.487090507e+02 2.559520266e+02 3.590567684e+02 1.737504088e+02 2.523258171e+02 0.96 3.571394586e+02 2.302742332e+02 3.213303073e+02 3.571059802e+02 3.570227218e+02 1.363228667e+02 2.357573432e+02 3.320218866e+02 1.595294682e+02 2.324138650e+02 0.98 3.307715758e+02 2.122656133e+02 2.972946871e+02 3.307378853e+02 3.306672371e+02 1.250021325e+02 2.172993171e+02 3.073109973e+02 1.465799307e+02 2.142674169e+02 1.00 3.066301213e+02 1.957559174e+02 2.752968188e+02 3.065945891e+02 3.065508742e+02 1.146557583e+02 2.004314625e+02 2.846495074e+02 1.347545362e+02 1.977279374e+02 1.02 2.844484386e+02 1.805954755e+02 2.551296792e+02 2.844262659e+02 2.844188646e+02 1.052076696e+02 1.850182480e+02 2.638077759e+02 1.239228488e+02 1.826414985e+02 1.04 2.640092147e+02 1.666756182e+02 2.365968800e+02 2.640170258e+02 2.640483547e+02 9.658675098e+01 1.709256767e+02 2.446139879e+02 1.139754215e+02 1.688615210e+02 1.06 2.451492309e+02 1.539037245e+02 2.195075508e+02 2.451959101e+02 2.452611473e+02 8.870685180e+01 1.580184284e+02 2.269348711e+02 1.048262657e+02 1.562446674e+02 1.08 2.277517475e+02 1.421925828e+02 2.037064137e+02 2.278307285e+02 2.279178429e+02 8.148437171e+01 1.461761611e+02 2.106580374e+02 9.640409428e+01 1.446585296e+02 1.10 2.117089520e+02 1.314525125e+02 1.890827735e+02 2.118054318e+02 2.118992806e+02 7.484935697e+01 1.352956023e+02 1.956708028e+02 8.864859624e+01 1.339832810e+02 1.12 1.969240413e+02 1.215871710e+02 1.755540273e+02 1.970150209e+02 1.970985560e+02 6.874688554e+01 1.252885036e+02 1.818610831e+02 8.149602313e+01 1.241169708e+02 1.14 1.832850840e+02 1.125042794e+02 1.630558162e+02 1.833524254e+02 1.834120268e+02 6.313182881e+01 1.160748445e+02 1.691187229e+02 7.489085221e+01 1.149778275e+02 1.16 1.706874489e+02 1.041181257e+02 1.515130323e+02 1.707178376e+02 1.707432762e+02 5.796070193e+01 1.075777649e+02 1.573432656e+02 6.878432413e+01 1.065023341e+02 1.18 1.590320587e+02 9.635240411e+01 1.408578714e+02 1.590211126e+02 1.590082696e+02 5.319607000e+01 9.972167038e+01 1.464452814e+02 6.313687312e+01 9.863344793e+01 1.20 1.482255530e+02 8.914574088e+01 1.310174841e+02 1.481783360e+02 1.481317345e+02 4.880125279e+01 9.243746517e+01 1.363420773e+02 5.791579546e+01 9.132166880e+01 1.22 1.381843813e+02 8.245321119e+01 1.219247725e+02 1.381126915e+02 1.380427760e+02 4.474556111e+01 8.566296271e+01 1.269634854e+02 5.309093944e+01 8.451525324e+01 1.24 1.288421785e+02 7.624011272e+01 1.135182935e+02 1.287605730e+02 1.286812560e+02 4.100370146e+01 7.934539378e+01 1.182491689e+02 4.863213726e+01 7.817292091e+01 1.26 1.201468989e+02 7.047577344e+01 1.057387157e+02 1.200673742e+02 1.199905363e+02 3.755304473e+01 7.344051827e+01 1.101495660e+02 4.451369978e+01 7.226465159e+01 1.28 1.120558011e+02 6.513119940e+01 9.853069632e+01 1.119868641e+02 1.119206548e+02 3.437128717e+01 6.791561373e+01 1.026169308e+02 4.071144652e+01 6.676933165e+01 1.30 1.045248277e+02 6.017299951e+01 9.184056782e+01 1.044730067e+02 1.044232323e+02 3.143518845e+01 6.274550831e+01 9.560707694e+01 3.720468072e+01 6.166355192e+01 1.32 9.751522662e+01 5.557063273e+01 8.561761006e+01 9.748435928e+01 9.745412664e+01 2.872315971e+01 5.791099746e+01 8.907821603e+01 3.397043475e+01 5.692772176e+01 1.34 9.098109145e+01 5.129252235e+01 7.981325165e+01 9.097399775e+01 9.096592854e+01 2.621479339e+01 5.339708287e+01 8.299040112e+01 3.098728858e+01 5.253321825e+01 1.36 8.488174932e+01 4.730932384e+01 7.438300122e+01 8.489899249e+01 8.491420230e+01 2.389096560e+01 4.918996168e+01 7.730872566e+01 2.823257918e+01 4.845345264e+01 1.38 7.918203451e+01 4.359399718e+01 6.928682751e+01 7.922134859e+01 7.925836723e+01 2.173355738e+01 4.527229008e+01 7.200330181e+01 2.568542415e+01 4.466383578e+01 1.40 7.385269196e+01 4.012378860e+01 6.449000337e+01 7.390870833e+01 7.396276870e+01 1.972577751e+01 4.162945110e+01 6.704646969e+01 2.332701966e+01 4.114326323e+01 1.42 6.886898647e+01 3.687788920e+01 5.996635416e+01 6.893396200e+01 6.899765301e+01 1.785401966e+01 3.824480838e+01 6.241441421e+01 2.114051219e+01 3.787453630e+01 1.44 6.420612584e+01 3.383687831e+01 5.569684893e+01 6.427188197e+01 6.433708922e+01 1.610852961e+01 3.510159264e+01 5.808081130e+01 1.911095858e+01 3.483941433e+01 1.46 5.984274329e+01 3.098599618e+01 5.167130678e+01 5.990152955e+01 5.996029135e+01 1.448299389e+01 3.218368268e+01 5.402136178e+01 1.722547555e+01 3.202142843e+01 1.48 5.575406136e+01 2.831138710e+01 4.788247310e+01 5.580074150e+01 5.584761607e+01 1.297389599e+01 2.947603347e+01 5.021130586e+01 1.547294377e+01 2.940271720e+01 1.50 5.191678627e+01 2.580279705e+01 4.432421707e+01 5.194876770e+01 5.198097857e+01 1.157785084e+01 2.696361366e+01 4.662798535e+01 1.384348488e+01 2.696647582e+01 1.52 4.830784769e+01 2.345251958e+01 4.098702420e+01 4.832437563e+01 4.834114653e+01 1.028902456e+01 2.463288634e+01 4.325091800e+01 1.232926226e+01 2.469605694e+01 1.54 4.490527314e+01 2.125257656e+01 3.786544932e+01 4.490861957e+01 4.491228835e+01 9.103111085e+00 2.246965869e+01 4.006425492e+01 1.092228891e+01 2.257547475e+01 1.56 4.169094380e+01 1.919895755e+01 3.494527274e+01 4.168410778e+01 4.167771577e+01 8.011728262e+00 2.046063751e+01 3.705556593e+01 9.615644194e+00 2.059065673e+01 1.58 3.865136414e+01 1.728427873e+01 3.221351278e+01 3.863767286e+01 3.862459372e+01 7.006862154e+00 1.859316467e+01 3.421607589e+01 8.402638705e+00 1.873004011e+01 1.60 3.577619684e+01 1.550116864e+01 2.965711580e+01 3.575871506e+01 3.574205526e+01 6.080387812e+00 1.685536231e+01 3.153906148e+01 7.276735681e+00 1.698444281e+01 1.62 3.305911933e+01 1.384342902e+01 2.726310205e+01 3.304032988e+01 3.302248268e+01 5.224105213e+00 1.523608669e+01 2.902220648e+01 6.231218191e+00 1.534697620e+01 1.64 3.049700245e+01 1.230329717e+01 2.501867536e+01 3.047851095e+01 3.046084399e+01 4.430056876e+00 1.372514423e+01 2.666065745e+01 5.260361798e+00 1.381270938e+01 1.66 2.808703207e+01 1.087361132e+01 2.291233641e+01 2.806954563e+01 2.805251304e+01 3.691666185e+00 1.231347462e+01 2.444772888e+01 4.358451169e+00 1.237746183e+01 1.68 2.582347627e+01 9.546922863e+00 2.093428632e+01 2.580721567e+01 2.579092759e+01 3.004001544e+00 1.099311033e+01 2.237951293e+01 3.520772550e+00 1.103631202e+01 1.70 2.370539884e+01 8.316465696e+00 1.907661707e+01 2.368967161e+01 2.367353797e+01 2.363776027e+00 9.757164362e+00 2.044663607e+01 2.743306292e+00 9.785996968e+00 1.72 2.172359400e+01 7.175366658e+00 1.733340250e+01 2.170805823e+01 2.169197427e+01 1.769371835e+00 8.599825852e+00 1.864035773e+01 2.022751487e+00 8.620794697e+00 1.74 1.986950262e+01 6.117424292e+00 1.570016740e+01 1.985426394e+01 1.983854937e+01 1.220337131e+00 7.516032322e+00 1.695182779e+01 1.356327941e+00 7.535321006e+00 1.76 1.813435352e+01 5.136991761e+00 1.417246489e+01 1.811995864e+01 1.810526028e+01 7.161000455e-01 6.500726243e+00 1.537273147e+01 7.411193221e-01 6.524224933e+00 1.78 1.651004474e+01 4.228899305e+00 1.274443893e+01 1.649716872e+01 1.648415196e+01 2.547973163e-01 5.549952382e+00 1.389538809e+01 1.735422176e-01 5.582551194e+00 1.80 1.498920914e+01 3.388336978e+00 1.141270066e+01 1.497865037e+01 1.496804846e+01 -1.637085511e-01 4.658650428e+00 1.251277790e+01 -3.486432298e-01 4.705812183e+00 1.82 1.356502312e+01 2.610797632e+00 1.017027442e+01 1.355727409e+01 1.354951784e+01 -5.426948574e-01 3.822217004e+00 1.121835356e+01 -8.286501618e-01 3.889769021e+00 1.84 1.223089791e+01 1.892020876e+00 9.010932749e+00 1.222620514e+01 1.222151211e+01 -8.851508386e-01 3.036615392e+00 1.000595248e+01 -1.268950563e+00 3.130036752e+00 1.86 1.098037990e+01 1.227995175e+00 7.928586532e+00 1.097880113e+01 1.097722235e+01 -1.194203404e+00 2.298662116e+00 8.869840171e+00 -1.671654867e+00 2.421966155e+00 1.88 9.807163710e+00 6.149626495e-01 6.917630631e+00 9.808645210e+00 9.810126710e+00 -1.472769176e+00 1.606002366e+00 7.804739522e+00 -2.038354326e+00 1.760731769e+00 1.90 8.705381309e+00 4.945976884e-02 5.972975908e+00 8.709794277e+00 8.714207244e+00 -1.723526748e+00 9.571026187e-01 6.805845576e+00 -2.370312960e+00 1.141957163e+00 1.92 7.669793821e+00 -4.716971375e-01 5.090031249e+00 7.676951486e+00 7.684109151e+00 -1.948931706e+00 3.512166066e-01 5.868643412e+00 -2.668886797e+00 5.621106024e-01 1.94 6.695898630e+00 -9.514226758e-01 4.264614806e+00 6.705540357e+00 6.715182085e+00 -2.151260843e+00 -2.120283279e-01 4.989653817e+00 -2.935909505e+00 1.860862116e-02 1.96 5.779995019e+00 -1.392413317e+00 3.492872653e+00 5.791766692e+00 5.803538364e+00 -2.332650052e+00 -7.332758800e-01 4.165402748e+00 -3.172411975e+00 -4.901313973e-01 1.98 4.919173495e+00 -1.797215300e+00 2.771270637e+00 4.932616666e+00 4.946059838e+00 -2.495097553e+00 -1.214036215e+00 3.393098197e+00 -3.380609431e+00 -9.647080370e-01 2.00 4.111151253e+00 -2.168257974e+00 2.096606497e+00 4.125706654e+00 4.140262055e+00 -2.640453305e+00 -1.654553811e+00 2.670295627e+00 -3.562505890e+00 -1.405002175e+00 2.02 3.353803828e+00 -2.507857212e+00 1.466025510e+00 3.368841661e+00 3.383879493e+00 -2.770393738e+00 -2.057037124e+00 1.994646097e+00 -3.720194545e+00 -1.810984288e+00 2.04 2.644454794e+00 -2.818225435e+00 8.769665184e-01 2.659332535e+00 2.674210275e+00 -2.886414354e+00 -2.423412625e+00 1.363506256e+00 -3.855716941e+00 -2.183784355e+00 2.06 1.981754469e+00 -3.101491068e+00 3.271357223e-01 1.995880007e+00 2.010005545e+00 -2.989828477e+00 -2.755849325e+00 7.751644243e-01 -3.971027968e+00 -2.522654803e+00 2.08 1.362810858e+00 -3.359683492e+00 -1.855032909e-01 1.375686455e+00 1.388562053e+00 -3.081765379e+00 -3.056554707e+00 2.269757029e-01 -4.067996242e+00 -2.829616409e+00 2.10 7.852462158e-01 -3.594721776e+00 -6.627461806e-01 7.965050338e-01 8.077638517e-01 -3.163170752e+00 -3.327716318e+00 -2.833034853e-01 -4.148402610e+00 -3.106164083e+00 2.12 2.466758739e-01 -3.808411667e+00 -1.106258743e+00 2.560929213e-01 2.655099687e-01 -3.234863708e+00 -3.571503049e+00 -7.578616502e-01 -4.213944211e+00 -3.354095011e+00 2.14 -2.552295929e-01 -4.002446401e+00 -1.517703279e+00 -2.477538886e-01 -2.402781842e-01 -3.297602148e+00 -3.789981382e+00 -1.198787651e+00 -4.266238168e+00 -3.575318081e+00 2.16 -7.226584632e-01 -4.178432974e+00 -1.898737481e+00 -7.171192766e-01 -7.115800901e-01 -3.352090703e+00 -3.985042112e+00 -1.608008263e+00 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