# 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 = Ag3Ti # 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 3.115096071e+02 nan nan 1.16 2.865150370e+02 nan nan 1.18 2.635787335e+02 nan nan 1.20 2.425168579e+02 nan nan 1.22 2.231640256e+02 nan nan 1.24 2.053715000e+02 nan nan 1.26 1.890054105e+02 nan nan 1.28 1.739445116e+02 2.696852741e+02 3.092722671e+02 1.30 1.600783014e+02 2.497683859e+02 2.869661540e+02 1.32 1.473060627e+02 2.313489447e+02 2.663108286e+02 1.34 1.355362402e+02 2.143056959e+02 2.471736635e+02 1.36 1.246856661e+02 1.985274161e+02 2.294337180e+02 1.38 1.146787411e+02 1.839129429e+02 2.129805873e+02 1.40 1.054467414e+02 1.703704314e+02 1.977133609e+02 1.42 9.692721538e+01 1.578161791e+02 1.835401138e+02 1.44 8.906327560e+01 1.461735782e+02 1.703775749e+02 1.46 8.180271655e+01 1.353724069e+02 1.581502679e+02 1.48 7.509724355e+01 1.253484234e+02 1.467891024e+02 1.50 6.890216122e+01 1.160430891e+02 1.362300809e+02 1.52 6.317648036e+01 1.074031142e+02 1.264136231e+02 1.54 5.788315245e+01 9.937971126e+01 1.172844562e+02 1.56 5.298906002e+01 9.192783163e+01 1.087916454e+02 1.58 4.846782739e+01 8.500565975e+01 1.008883955e+02 1.60 4.429269438e+01 7.857434909e+01 9.353164075e+01 1.62 4.043744903e+01 7.259785460e+01 8.668165983e+01 1.64 3.687784046e+01 6.704275507e+01 8.030183455e+01 1.66 3.359149685e+01 6.187803029e+01 7.435847433e+01 1.68 3.055783724e+01 5.707497026e+01 6.882061642e+01 1.70 2.775791280e+01 5.260718401e+01 6.365981747e+01 1.72 2.517418962e+01 4.845331140e+01 5.884998535e+01 1.74 2.279033393e+01 4.459200010e+01 5.436727842e+01 1.76 2.059107254e+01 4.100223775e+01 5.019111213e+01 1.78 1.856215596e+01 3.766473458e+01 4.630360568e+01 1.80 1.669037321e+01 3.456174300e+01 4.268513787e+01 1.82 1.496354249e+01 3.167695592e+01 3.931726689e+01 1.84 1.337045912e+01 2.899542741e+01 3.618270414e+01 1.86 1.190083488e+01 2.650345003e+01 3.326522020e+01 1.88 1.054525809e+01 2.418837789e+01 3.054957401e+01 1.90 9.295163450e+00 2.203843196e+01 2.802148562e+01 1.92 8.142784439e+00 2.004253095e+01 2.566765394e+01 1.94 7.081078508e+00 1.819018247e+01 2.347579521e+01 1.96 6.103636262e+00 1.647144967e+01 2.143465619e+01 1.98 5.204591598e+00 1.487697712e+01 1.953396694e+01 2.00 4.378541963e+00 1.339803011e+01 1.776433380e+01 2.02 3.620480204e+00 1.202650528e+01 1.611710625e+01 2.04 2.925736085e+00 1.075490205e+01 1.458426076e+01 2.06 2.289925818e+00 9.576271906e+00 1.315832719e+01 2.08 1.708907932e+00 8.484167458e+00 1.183235621e+01 2.10 1.178744279e+00 7.472601883e+00 1.059990496e+01 2.12 6.956656731e-01 6.536015400e+00 9.455014319e+00 2.14 2.560476880e-01 5.669242230e+00 8.392161776e+00 2.16 -1.435925400e-01 4.867477586e+00 7.406190643e+00 2.18 -5.065722463e-01 4.126248425e+00 6.492230690e+00 2.20 -8.359993600e-01 3.441390328e+00 5.645631023e+00 2.22 -1.134730178e+00 2.809028216e+00 4.861924104e+00 2.24 -1.405346433e+00 2.225558338e+00 4.136825508e+00 2.26 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-3.255270002e+00 -2.894955690e+00 -2.551324958e+00 2.64 -3.248917200e+00 -2.974143934e+00 -2.675504883e+00 2.66 -3.237630270e+00 -3.043239161e+00 -2.786559077e+00 2.68 -3.221649445e+00 -3.102961919e+00 -2.885297558e+00 2.70 -3.201200518e+00 -3.153956834e+00 -2.972462407e+00 2.72 -3.176569640e+00 -3.196802421e+00 -3.048741297e+00 2.74 -3.148078037e+00 -3.232016311e+00 -3.114768516e+00 2.76 -3.116059812e+00 -3.260065690e+00 -3.171064986e+00 2.78 -3.080845414e+00 -3.281379139e+00 -3.218120709e+00 2.80 -3.042756996e+00 -3.296357333e+00 -3.256446963e+00 2.82 -3.002118760e+00 -3.305380947e+00 -3.286582778e+00 2.84 -2.959232687e+00 -3.308816364e+00 -3.309099235e+00 2.86 -2.914373586e+00 -3.307065860e+00 -3.324599590e+00 2.88 -2.867792520e+00 -3.300527847e+00 -3.333712980e+00 2.90 -2.819719900e+00 -3.289600902e+00 -3.337080364e+00 2.92 -2.770367412e+00 -3.274522306e+00 -3.335333521e+00 2.94 -2.719928814e+00 -3.255379032e+00 -3.329070565e+00 2.96 -2.668579192e+00 -3.232308387e+00 -3.318935987e+00 2.98 -2.616474747e+00 -3.205494056e+00 -3.305585526e+00 3.00 -2.563752997e+00 -3.175163579e+00 -3.289160509e+00 3.02 -2.510534163e+00 -3.141585797e+00 -3.269760602e+00 3.04 -2.456923566e+00 -3.105070142e+00 -3.247477195e+00 3.06 -2.403014683e+00 -3.065954651e+00 -3.222397550e+00 3.08 -2.348892493e+00 -3.024597520e+00 -3.194610097e+00 3.10 -2.294636908e+00 -2.981349720e+00 -3.164208926e+00 3.12 -2.240326128e+00 -2.936533875e+00 -3.131296602e+00 3.14 -2.186039744e+00 -2.890433506e+00 -3.095990282e+00 3.16 -2.131861309e+00 -2.843287424e+00 -3.058431342e+00 3.18 -2.077879942e+00 -2.795290103e+00 -3.018767845e+00 3.20 -2.024190556e+00 -2.746596201e+00 -2.977150413e+00 3.22 -1.970892420e+00 -2.697327680e+00 -2.933731967e+00 3.24 -1.918086201e+00 -2.647581754e+00 -2.888667748e+00 3.26 -1.865870067e+00 -2.597438385e+00 -2.842116065e+00 3.28 -1.814335769e+00 -2.546966607e+00 -2.794239308e+00 3.30 -1.763565562e+00 -2.496229421e+00 -2.745204889e+00 3.32 -1.713630431e+00 -2.445287317e+00 -2.695185490e+00 3.34 -1.664589481e+00 -2.394200632e+00 -2.644357996e+00 3.36 -1.616490060e+00 -2.343031009e+00 -2.592900815e+00 3.38 -1.569368083e+00 -2.291842211e+00 -2.540989799e+00 3.40 -1.523248398e+00 -2.240700530e+00 -2.488793572e+00 3.42 -1.478145238e+00 -2.189675053e+00 -2.436469401e+00 3.44 -1.434063402e+00 -2.138837677e+00 -2.384160627e+00 3.46 -1.390999324e+00 -2.088263259e+00 -2.331996121e+00 3.48 -1.348943312e+00 -2.038029550e+00 -2.280091499e+00 3.50 -1.307881568e+00 -1.988216842e+00 -2.228551200e+00 3.52 -1.267798123e+00 -1.938907065e+00 -2.177470761e+00 3.54 -1.228676286e+00 -1.890182090e+00 -2.126937605e+00 3.56 -1.190499523e+00 -1.842121177e+00 -2.077031207e+00 3.58 -1.153251776e+00 -1.794797752e+00 -2.027821823e+00 3.60 -1.116917329e+00 -1.748275960e+00 -1.979368680e+00 3.62 -1.081480410e+00 -1.702607638e+00 -1.931718183e+00 3.64 -1.046924647e+00 -1.657830285e+00 -1.884902721e+00 3.66 -1.013232532e+00 -1.613966391e+00 -1.838940390e+00 3.68 -9.803849510e-01 -1.571024151e+00 -1.793835738e+00 3.70 -9.483608571e-01 -1.528999285e+00 -1.749581364e+00 3.72 -9.171370919e-01 -1.487877528e+00 -1.706160127e+00 3.74 -8.866883757e-01 -1.447637354e+00 -1.663547653e+00 3.76 -8.569874630e-01 -1.408252574e+00 -1.621714886e+00 3.78 -8.280054592e-01 -1.369694615e+00 -1.580630482e+00 3.80 -7.997122940e-01 -1.331934374e+00 -1.540262949e+00 3.82 -7.720773449e-01 -1.294943636e+00 -1.500582438e+00 3.84 -7.450702071e-01 -1.258696097e+00 -1.461562170e+00 3.86 -7.186615984e-01 -1.223168013e+00 -1.423179495e+00 3.88 -6.928243863e-01 -1.188338536e+00 -1.385416585e+00 3.90 -6.675347079e-01 -1.154189783e+00 -1.348260791e+00 3.92 -6.427731173e-01 -1.120706639e+00 -1.311704665e+00 3.94 -6.185258158e-01 -1.087876517e+00 -1.275745939e+00 3.96 -5.947855409e-01 -1.055688741e+00 -1.240386918e+00 3.98 -5.715524336e-01 -1.024134132e+00 -1.205634163e+00 4.00 -5.488343898e-01 -9.932044561e-01 -1.171497874e+00 4.02 -5.266468914e-01 -9.628919554e-01 -1.137991259e+00 4.04 -5.050121765e-01 -9.331889848e-01 -1.105129828e+00 4.06 -4.839576988e-01 -9.040877871e-01 -1.072930604e+00 4.08 -4.635139264e-01 -8.755804330e-01 -1.041411232e+00 4.10 -4.437116464e-01 -8.476588719e-01 -1.010588964e+00 4.12 -4.245790513e-01 -8.203154890e-01 -9.804795773e-01 4.14 -4.061389503e-01 -7.935431204e-01 -9.510962985e-01 4.16 -3.884064538e-01 -7.673359130e-01 -9.224488325e-01 4.18 -3.713874172e-01 -7.416898737e-01 -8.945426270e-01 4.20 -3.550778057e-01 -7.166034966e-01 -8.673784518e-01 4.22 -3.394640156e-01 -6.920783077e-01 -8.409523350e-01 4.24 -3.245240081e-01 -6.681192311e-01 -8.152558297e-01 4.26 -3.102290886e-01 -6.447346879e-01 -7.902765383e-01 4.28 -2.965460451e-01 -6.219363488e-01 -7.659987950e-01 4.30 -2.834394057e-01 -5.997384980e-01 -7.424044019e-01 4.32 -2.708735934e-01 -5.781570132e-01 -7.194733348e-01 4.34 -2.588148131e-01 -5.572080240e-01 -6.971843608e-01 4.36 -2.472325217e-01 -5.369063692e-01 -6.755155366e-01 4.38 -2.361006195e-01 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-1.004800605e-01 -2.607586709e-01 -3.523558704e-01 4.76 -9.581568523e-02 -2.500836212e-01 -3.385157920e-01 4.78 -9.133096313e-02 -2.395989315e-01 -3.248643667e-01 4.80 -8.700681138e-02 -2.292893441e-01 -3.113931886e-01 4.82 -8.282577266e-02 -2.191438765e-01 -2.980979191e-01 4.84 -7.877223119e-02 -2.091559136e-01 -2.849788633e-01 4.86 -7.483255876e-02 -1.993237243e-01 -2.720414498e-01 4.88 -7.099520140e-02 -1.896506307e-01 -2.592965540e-01 4.90 -6.725071469e-02 -1.801450768e-01 -2.467605983e-01 4.92 -6.359175358e-02 -1.708204928e-01 -2.344553713e-01 4.94 -6.001302171e-02 -1.616949090e-01 -2.224075217e-01 4.96 -5.651118523e-02 -1.527902913e-01 -2.106477058e-01 4.98 -5.308475714e-02 -1.441315970e-01 -1.992094039e-01 5.00 -4.973395971e-02 -1.357455783e-01 -1.881274572e-01 5.02 -4.646057295e-02 -1.276594002e-01 -1.774364159e-01 5.04 -4.326777640e-02 -1.198991657e-01 -1.671688195e-01 5.06 -4.015998837e-02 -1.124884657e-01 -1.573535453e-01 5.08 -3.714270161e-02 -1.054470743e-01 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-3.629420102e-02 -5.375712945e-02 5.46 -3.840891925e-03 -3.450295807e-02 -5.117508070e-02 5.48 -3.299889285e-03 -3.280354845e-02 -4.871478917e-02 5.50 -2.831082614e-03 -3.118365612e-02 -4.636016057e-02 5.52 -2.426044583e-03 -2.963234907e-02 -4.409684572e-02 5.54 -2.076998699e-03 -2.814002417e-02 -4.191217387e-02 5.56 -1.776862924e-03 -2.669835975e-02 -3.979521069e-02 5.58 -1.519259593e-03 -2.530027790e-02 -3.773659116e-02 5.60 -1.298499989e-03 -2.393991769e-02 -3.572860965e-02 5.62 -1.109551038e-03 -2.261261603e-02 -3.376519228e-02 5.64 -9.479904612e-04 -2.131489201e-02 -3.184189736e-02 5.66 -8.099554112e-04 -2.004442867e-02 -2.995590883e-02 5.68 -6.920884258e-04 -1.880004464e-02 -2.810601179e-02 5.70 -5.914835120e-04 -1.758164775e-02 -2.629253845e-02 5.72 -5.056342732e-04 -1.639016289e-02 -2.451727322e-02 5.74 -4.323853020e-04 -1.522742790e-02 -2.278330787e-02 5.76 -3.698875328e-04 -1.409605405e-02 -2.109484223e-02 5.78 -3.165578750e-04 -1.299909843e-02 -1.945673757e-02 5.80 -2.710431599e-04 -1.194009844e-02 -1.787444498e-02 5.82 -2.321882525e-04 -1.092291719e-02 -1.635393424e-02 5.84 -1.990080806e-04 -9.951344138e-03 -1.490103769e-02 5.86 -1.706632573e-04 -9.028869619e-03 -1.352111531e-02 5.88 -1.464389475e-04 -8.158484045e-03 -1.221875737e-02 5.90 -1.257266291e-04 -7.342515887e-03 -1.099754455e-02 5.92 -1.080084082e-04 -6.582518602e-03 -9.859881064e-03 5.94 -9.284357225e-05 -5.879211520e-03 -8.806908219e-03 5.96 -7.985708622e-05 -5.232474195e-03 -7.838497820e-03 5.98 -6.872977361e-05 -4.641388782e-03 -6.953317337e-03 6.00 -5.918994718e-05 -4.104321257e-03 -6.148953061e-03