# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Fe3Ti # 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 2024-04-11 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 2.481634770e+02 nan nan 1.16 2.247488269e+02 nan nan 1.18 2.034985191e+02 nan nan 1.20 1.841990435e+02 nan nan 1.22 1.666618610e+02 nan nan 1.24 1.507216217e+02 nan nan 1.26 1.362331984e+02 nan nan 1.28 1.230676195e+02 2.081996957e+02 2.449191835e+02 1.30 1.111080208e+02 1.899760856e+02 2.240425835e+02 1.32 1.002467279e+02 1.732892227e+02 2.049050137e+02 1.34 9.038386660e+01 1.579961016e+02 1.873588708e+02 1.36 8.142719635e+01 1.439716936e+02 1.712697002e+02 1.38 7.329218292e+01 1.311073656e+02 1.565147221e+02 1.40 6.590159057e+01 1.193076765e+02 1.429819735e+02 1.42 5.918495089e+01 1.084872646e+02 1.305690317e+02 1.44 5.307841760e+01 9.856894443e+01 1.191815319e+02 1.46 4.752475575e+01 8.948273040e+01 1.087320371e+02 1.48 4.247308516e+01 8.116488879e+01 9.913951828e+01 1.50 3.787845232e+01 7.355668627e+01 9.032948072e+01 1.52 3.370135335e+01 6.660314528e+01 8.223449525e+01 1.54 2.990718826e+01 6.025221726e+01 7.479455799e+01 1.56 2.646490748e+01 5.445453623e+01 6.795672732e+01 1.58 2.334595182e+01 4.916355706e+01 6.167398698e+01 1.60 2.052368761e+01 4.433573923e+01 5.590382450e+01 1.62 1.797274904e+01 3.993059875e+01 5.060709999e+01 1.64 1.566905120e+01 3.591061777e+01 4.574746347e+01 1.66 1.358994270e+01 3.224104462e+01 4.129117527e+01 1.68 1.171427532e+01 2.888981481e+01 3.720700004e+01 1.70 1.002234237e+01 2.582713488e+01 3.346600914e+01 1.72 8.495754486e+00 2.302576657e+01 3.004136180e+01 1.74 7.117365750e+00 2.046152293e+01 2.690817291e+01 1.76 5.871350678e+00 1.811319803e+01 2.404301907e+01 1.78 4.743428273e+00 1.596242489e+01 2.142432649e+01 1.80 3.721088949e+00 1.399328756e+01 1.903202091e+01 1.82 2.793658034e+00 1.219182796e+01 1.684735371e+01 1.84 1.952147006e+00 1.054556949e+01 1.485270757e+01 1.86 1.188960145e+00 9.043121441e+00 1.303143775e+01 1.88 4.975627423e-01 7.673878568e+00 1.136781962e+01 1.90 -1.278104315e-01 6.427807029e+00 9.847117709e+00 1.92 -6.923682718e-01 5.295301724e+00 8.455744067e+00 1.94 -1.200894659e+00 4.267109646e+00 7.181451751e+00 1.96 -1.657821145e+00 3.334318843e+00 6.013491561e+00 1.98 -2.067270974e+00 2.488402412e+00 4.942657844e+00 2.00 -2.433094947e+00 1.721290705e+00 3.961177003e+00 2.02 -2.758903093e+00 1.025448866e+00 3.062457120e+00 2.04 -3.048088063e+00 3.939531560e-01 2.240776328e+00 2.06 -3.303836968e+00 -1.794376302e-01 1.490996875e+00 2.08 -3.529134796e+00 -7.002317249e-01 8.083565968e-01 2.10 -3.726766068e+00 -1.173199185e+00 1.883423932e-01 2.12 -3.899321585e+00 -1.602427093e+00 -3.733759963e-01 2.14 -4.049208623e+00 -1.991427309e+00 -8.809794910e-01 2.16 -4.178653849e+00 -2.343268922e+00 -1.338517628e+00 2.18 -4.289690124e+00 -2.660705026e+00 -1.749914359e+00 2.20 -4.384160721e+00 -2.946273980e+00 -2.118957355e+00 2.22 -4.463688165e+00 -3.202369006e+00 -2.449268275e+00 2.24 -4.529513523e+00 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-4.152694355e+00 -4.728721507e+00 -4.674644084e+00 2.62 -4.069206520e+00 -4.705912397e+00 -4.683368155e+00 2.64 -3.980148772e+00 -4.677226259e+00 -4.686823734e+00 2.66 -3.885993572e+00 -4.643109627e+00 -4.685310840e+00 2.68 -3.787362412e+00 -4.603985084e+00 -4.679099807e+00 2.70 -3.684989076e+00 -4.560248921e+00 -4.668397127e+00 2.72 -3.579671216e+00 -4.512273211e+00 -4.653351778e+00 2.74 -3.472216631e+00 -4.460407232e+00 -4.634072237e+00 2.76 -3.363392976e+00 -4.404855530e+00 -4.610631430e+00 2.78 -3.253889304e+00 -4.345455176e+00 -4.583074046e+00 2.80 -3.144295266e+00 -4.282008039e+00 -4.551426147e+00 2.82 -3.035099008e+00 -4.214443019e+00 -4.515706560e+00 2.84 -2.926701473e+00 -4.142806776e+00 -4.475805012e+00 2.86 -2.819440535e+00 -4.067249317e+00 -4.431342384e+00 2.88 -2.713617581e+00 -3.988005048e+00 -4.382010582e+00 2.90 -2.609519310e+00 -3.905369894e+00 -4.327619125e+00 2.92 -2.507429595e+00 -3.819676519e+00 -4.268082266e+00 2.94 -2.407629961e+00 -3.731270553e+00 -4.203402425e+00 2.96 -2.310388979e+00 -3.640490813e+00 -4.133651033e+00 2.98 -2.215946183e+00 -3.547655569e+00 -4.058949499e+00 3.00 -2.124494318e+00 -3.453055219e+00 -3.979451705e+00 3.02 -2.036165016e+00 -3.356950119e+00 -3.895331297e+00 3.04 -1.951020942e+00 -3.259571384e+00 -3.806773429e+00 3.06 -1.869055747e+00 -3.161123305e+00 -3.713971587e+00 3.08 -1.790201536e+00 -3.061786457e+00 -3.617129160e+00 3.10 -1.714342410e+00 -2.961723460e+00 -3.516465420e+00 3.12 -1.641331913e+00 -2.861088008e+00 -3.412225337e+00 3.14 -1.571011957e+00 -2.760038117e+00 -3.304692410e+00 3.16 -1.503230856e+00 -2.658751650e+00 -3.194203227e+00 3.18 -1.437858338e+00 -2.557442631e+00 -3.081161974e+00 3.20 -1.374795914e+00 -2.456374523e+00 -2.966052707e+00 3.22 -1.313981607e+00 -2.355868069e+00 -2.849447124e+00 3.24 -1.255389006e+00 -2.256301739e+00 -2.732005209e+00 3.26 -1.199021529e+00 -2.158103966e+00 -2.614467475e+00 3.28 -1.144903540e+00 -2.061737593e+00 -2.497637552e+00 3.30 -1.093070216e+00 -1.967678074e+00 -2.382355605e+00 3.32 -1.043557659e+00 -1.876387990e+00 -2.269464205e+00 3.34 -9.963942080e-01 -1.788291025e+00 -2.159769544e+00 3.36 -9.515932757e-01 -1.703748697e+00 -2.054001925e+00 3.38 -9.091479048e-01 -1.623042629e+00 -1.952779993e+00 3.40 -8.690272399e-01 -1.546364222e+00 -1.856583086e+00 3.42 -8.311751369e-01 -1.473812493e+00 -1.765735120e+00 3.44 -7.955115604e-01 -1.405399210e+00 -1.680401621e+00 3.46 -7.619353159e-01 -1.341060189e+00 -1.600599353e+00 3.48 -7.303290019e-01 -1.280670262e+00 -1.526215939e+00 3.50 -7.005652388e-01 -1.224059680e+00 -1.457035659e+00 3.52 -6.725123936e-01 -1.171029788e+00 -1.392767847e+00 3.54 -6.460388993e-01 -1.121366302e+00 -1.333073378e+00 3.56 -6.210173599e-01 -1.074849280e+00 -1.277588597e+00 3.58 -5.973274355e-01 -1.031259666e+00 -1.225944264e+00 3.60 -5.748576174e-01 -9.903829641e-01 -1.177779819e+00 3.62 -5.535060952e-01 -9.520110508e-01 -1.132753227e+00 3.64 -5.331809422e-01 -9.159431425e-01 -1.090547110e+00 3.66 -5.137998288e-01 -8.819867116e-01 -1.050871934e+00 3.68 -4.952894352e-01 -8.499586887e-01 -1.013467016e+00 3.70 -4.775846970e-01 -8.196869119e-01 -9.781000098e-01 3.72 -4.606279783e-01 -7.910115603e-01 -9.445654003e-01 3.74 -4.443682376e-01 -7.637862740e-01 -9.126824068e-01 3.76 -4.287602274e-01 -7.378787650e-01 -8.822926071e-01 3.78 -4.137637528e-01 -7.131706479e-01 -8.532574855e-01 3.80 -3.993429987e-01 -6.895572113e-01 -8.254560494e-01 3.82 -3.854659336e-01 -6.669469752e-01 -7.987826036e-01 3.84 -3.721037843e-01 -6.452598102e-01 -7.731447398e-01 3.86 -3.592305815e-01 -6.244257900e-01 -7.484615668e-01 3.88 -3.468227671e-01 -6.043839847e-01 -7.246621965e-01 3.90 -3.348588588e-01 -5.850812709e-01 -7.016844842e-01 3.92 -3.233191427e-01 -5.664711939e-01 -6.794739741e-01 3.94 -3.121855184e-01 -5.485130882e-01 -6.579832863e-01 3.96 -3.014411544e-01 -5.311710143e-01 -6.371712573e-01 3.98 -2.910704125e-01 -5.144131373e-01 -6.170027040e-01 4.00 -2.810586744e-01 -4.982110506e-01 -5.974480433e-01 4.02 -2.713922182e-01 -4.825392348e-01 -5.784829891e-01 4.04 -2.620581133e-01 -4.673746058e-01 -5.600881941e-01 4.06 -2.530441322e-01 -4.526961373e-01 -5.422487561e-01 4.08 -2.443386752e-01 -4.384845474e-01 -5.249535285e-01 4.10 -2.359307072e-01 -4.247219602e-01 -5.081942196e-01 4.12 -2.278097029e-01 -4.113920176e-01 -4.919643168e-01 4.14 -2.199656009e-01 -3.984791836e-01 -4.762579314e-01 4.16 -2.123887634e-01 -3.859689599e-01 -4.610685530e-01 4.18 -2.050699420e-01 -3.738476647e-01 -4.463883248e-01 4.20 -1.980002475e-01 -3.621023305e-01 -4.322077195e-01 4.22 -1.911711237e-01 -3.507206173e-01 -4.185149063e-01 4.24 -1.845743237e-01 -3.396907399e-01 -4.052958518e-01 4.26 -1.782018894e-01 -3.290014071e-01 -3.925346906e-01 4.28 -1.720461325e-01 -3.186417688e-01 -3.802142522e-01 4.30 -1.660996168e-01 -3.086013720e-01 -3.683166386e-01 4.32 -1.603551429e-01 -2.988701215e-01 -3.568237674e-01 4.34 -1.548057322e-01 -2.894382465e-01 -3.457178262e-01 4.36 -1.494445738e-01 -2.802962703e-01 -3.349816139e-01 4.38 -1.442651758e-01 -2.714349837e-01 -3.245987682e-01 4.40 -1.392610911e-01 -2.628454209e-01 -3.145538920e-01 4.42 -1.344260870e-01 -2.545188367e-01 -3.048326011e-01 4.44 -1.297540836e-01 -2.464466859e-01 -2.954215133e-01 4.46 -1.252391400e-01 -2.386206041e-01 -2.863081997e-01 4.48 -1.208754405e-01 -2.310323888e-01 -2.774811141e-01 4.50 -1.166572805e-01 -2.236739822e-01 -2.689295117e-01 4.52 -1.125790224e-01 -2.165374543e-01 -2.606432734e-01 4.54 -1.086352039e-01 -2.096149881e-01 -2.526132134e-01 4.56 -1.048203283e-01 -2.028988645e-01 -2.448303965e-01 4.58 -1.011289846e-01 -1.963814510e-01 -2.372864990e-01 4.60 -9.755579435e-02 -1.900551908e-01 -2.299736379e-01 4.62 -9.409539533e-02 -1.839125969e-01 -2.228843205e-01 4.64 -9.074242372e-02 -1.779462491e-01 -2.160114018e-01 4.66 -8.749149708e-02 -1.721487977e-01 -2.093480472e-01 4.68 -8.433719761e-02 -1.665129743e-01 -2.028877015e-01 4.70 -8.127405632e-02 -1.610316120e-01 -1.966240625e-01 4.72 -7.829653913e-02 -1.556976770e-01 -1.905510581e-01 4.74 -7.539903567e-02 -1.505043147e-01 -1.846628272e-01 4.76 -7.257585224e-02 -1.454449108e-01 -1.789537029e-01 4.78 -6.982121056e-02 -1.405131711e-01 -1.734181978e-01 4.80 -6.712925436e-02 -1.357031772e-01 -1.680509918e-01 4.82 -6.449406644e-02 -1.310096761e-01 -1.628469202e-01 4.84 -6.190969901e-02 -1.264279356e-01 -1.578009636e-01 4.86 -5.937022078e-02 -1.219540727e-01 -1.529082385e-01 4.88 -5.686978440e-02 -1.175851386e-01 -1.481639888e-01 4.90 -5.440271786e-02 -1.133192368e-01 -1.435635770e-01 4.92 -5.196364319e-02 -1.091556097e-01 -1.391024763e-01 4.94 -4.954762484e-02 -1.050946730e-01 -1.347762633e-01 4.96 -4.715034873e-02 -1.011379790e-01 -1.305806094e-01 4.98 -4.476832737e-02 -9.728809782e-02 -1.265112741e-01 5.00 -4.239912904e-02 -9.354840954e-02 -1.225640961e-01 5.02 -4.004161783e-02 -8.992281210e-02 -1.187349862e-01 5.04 -3.769618790e-02 -8.641536460e-02 -1.150199189e-01 5.06 -3.536496987e-02 -8.302989590e-02 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-4.123984015e-02 -6.091419102e-02 5.44 -4.322996505e-03 -3.963777079e-02 -5.865528119e-02 5.46 -3.717036144e-03 -3.807016968e-02 -5.642628525e-02 5.48 -3.189475084e-03 -3.653223820e-02 -5.422318389e-02 5.50 -2.732016718e-03 -3.501959557e-02 -5.204216076e-02 5.52 -2.336741559e-03 -3.352830754e-02 -4.987968954e-02 5.54 -1.996238963e-03 -3.205492629e-02 -4.773261568e-02 5.56 -1.703687631e-03 -3.059654019e-02 -4.559836118e-02 5.58 -1.452894426e-03 -2.915083465e-02 -4.347491556e-02 5.60 -1.238301001e-03 -2.771616011e-02 -4.136106886e-02 5.62 -1.054966940e-03 -2.629160288e-02 -3.925652372e-02 5.64 -8.985368924e-04 -2.487705261e-02 -3.716202402e-02 5.66 -7.651977479e-04 -2.347325869e-02 -3.507946349e-02 5.68 -6.516305323e-04 -2.208186644e-02 -3.301196080e-02 5.70 -5.549605204e-04 -2.070542371e-02 -3.096388747e-02 5.72 -4.727080209e-04 -1.934734900e-02 -2.894083540e-02 5.74 -4.027414591e-04 -1.801185408e-02 -2.694951406e-02 5.76 -3.432337585e-04 -1.670381311e-02 -2.499756531e-02 5.78 -2.926225624e-04 -1.542834954e-02 -2.309295332e-02 5.80 -2.495744860e-04 -1.419106302e-02 -2.124431298e-02 5.82 -2.129533591e-04 -1.299775330e-02 -1.946054263e-02 5.84 -1.817922853e-04 -1.185397903e-02 -1.775014796e-02 5.86 -1.552692447e-04 -1.076480394e-02 -1.612086623e-02 5.88 -1.326859205e-04 -9.734570351e-03 -1.457933056e-02 5.90 -1.134494159e-04 -8.766717468e-03 -1.313080087e-02 5.92 -9.705653689e-05 -7.863657201e-03 -1.177898050e-02 5.94 -8.308032391e-05 -7.026713895e-03 -1.052592828e-02 5.96 -7.115854228e-05 -6.256127585e-03 -9.372065455e-03 5.98 -6.098387093e-05 -5.551114359e-03 -8.316267970e-03 6.00 -5.229555396e-05 -4.909972792e-03 -7.356027589e-03