# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Ta-Cu # implementation = 2004--Zhou-X-W--Ta-Cu--LAMMPS--ipr2 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r Cu Cu Cu Ta Ta Ta 0.02 6.397364651e+03 1.124489604e+04 1.578265781e+04 0.04 3.196592702e+03 5.619232091e+03 7.893581260e+03 0.06 2.129668719e+03 3.744010773e+03 5.263889077e+03 0.08 1.596206727e+03 2.806400114e+03 3.949042985e+03 0.10 1.276129532e+03 2.243833718e+03 3.160135330e+03 0.12 1.062744735e+03 1.868789455e+03 2.634196893e+03 0.14 9.103270234e+02 1.600900695e+03 2.258526581e+03 0.16 7.960137395e+02 1.399984125e+03 1.976773847e+03 0.18 7.071034076e+02 1.243715682e+03 1.757632832e+03 0.20 6.359751420e+02 1.118700928e+03 1.582320020e+03 0.22 5.777792884e+02 1.016416128e+03 1.438882264e+03 0.24 5.292827437e+02 9.311787958e+02 1.319350802e+03 0.26 4.882472059e+02 8.590548990e+02 1.218208795e+03 0.28 4.530738878e+02 7.972344160e+02 1.131515646e+03 0.30 4.225903454e+02 7.436566640e+02 1.056381583e+03 0.32 3.959172458e+02 6.967761311e+02 9.906392787e+02 0.34 3.723821580e+02 6.554109550e+02 9.326313629e+02 0.36 3.514620799e+02 6.186419095e+02 8.810687711e+02 0.38 3.327441152e+02 5.857432899e+02 8.349338205e+02 0.40 3.158979471e+02 5.561345322e+02 7.934123649e+02 0.42 3.006561759e+02 5.293456563e+02 7.558453338e+02 0.44 2.868000203e+02 5.049921327e+02 7.216934872e+02 0.46 2.741487477e+02 4.827563067e+02 6.905113665e+02 0.48 2.625517479e+02 4.623734663e+02 6.619277558e+02 0.50 2.517382454e+02 4.433881558e+02 6.353153426e+02 0.52 2.355835275e+02 4.158519538e+02 5.971474932e+02 0.54 2.203054690e+02 3.897675341e+02 5.609103710e+02 0.56 2.059848998e+02 3.652668164e+02 5.267897830e+02 0.58 1.925623139e+02 3.422546798e+02 4.946635116e+02 0.60 1.799818896e+02 3.206416968e+02 4.644163768e+02 0.62 1.681912615e+02 3.003437912e+02 4.359398311e+02 0.64 1.571413074e+02 2.812819178e+02 4.091315771e+02 0.66 1.467859474e+02 2.633817638e+02 3.838952084e+02 0.68 1.370819560e+02 2.465737352e+02 3.601398701e+02 0.70 1.279887859e+02 2.307921129e+02 3.377799392e+02 0.72 1.194684020e+02 2.159748607e+02 3.167347239e+02 0.74 1.114851268e+02 2.020636759e+02 2.969281793e+02 0.76 1.040054938e+02 1.890037649e+02 2.782886400e+02 0.78 9.699811181e+01 1.767436319e+02 2.607485682e+02 0.80 9.043353562e+01 1.652348811e+02 2.442443162e+02 0.82 8.428414640e+01 1.544320297e+02 2.287159021e+02 0.84 7.852403848e+01 1.442923341e+02 2.141067993e+02 0.86 7.312891341e+01 1.347758465e+02 2.003637372e+02 0.88 6.807598059e+01 1.258454906e+02 1.874365144e+02 0.90 6.334386401e+01 1.174663969e+02 1.752778213e+02 0.92 5.891251469e+01 1.096057031e+02 1.638430742e+02 0.94 5.476299574e+01 1.022324436e+02 1.530902584e+02 0.96 5.087626944e+01 9.531744516e+01 1.429797803e+02 0.98 4.723654784e+01 8.883322719e+01 1.334743277e+02 1.00 4.382954479e+01 8.275390748e+01 1.245387393e+02 1.02 4.064170408e+01 7.705511281e+01 1.161398802e+02 1.04 3.766017135e+01 7.171389426e+01 1.082465256e+02 1.06 3.487276590e+01 6.670864694e+01 1.008292509e+02 1.08 3.226795282e+01 6.201903395e+01 9.386032796e+01 1.10 2.983481531e+01 5.762591451e+01 8.731362773e+01 1.12 2.756302573e+01 5.351127585e+01 8.116452800e+01 1.14 2.544273313e+01 4.965816886e+01 7.538982678e+01 1.16 2.346453924e+01 4.605064716e+01 6.996766059e+01 1.18 2.161958699e+01 4.267370956e+01 6.487742741e+01 1.20 1.989953952e+01 3.951324567e+01 6.009971412e+01 1.22 1.829655186e+01 3.655598450e+01 5.561622806e+01 1.24 1.680324402e+01 3.378944588e+01 5.140973259e+01 1.26 1.541267528e+01 3.120189464e+01 4.746398634e+01 1.28 1.411831977e+01 2.878229731e+01 4.376410729e+01 1.30 1.291404330e+01 2.652028126e+01 4.029577166e+01 1.32 1.179408121e+01 2.440609610e+01 3.704492637e+01 1.34 1.075301755e+01 2.243057735e+01 3.399836220e+01 1.36 9.785765100e+00 2.058511207e+01 3.114366317e+01 1.38 8.887546610e+00 1.886160650e+01 2.846915885e+01 1.40 8.053876917e+00 1.725245550e+01 2.596387959e+01 1.42 7.280546054e+00 1.575051379e+01 2.361751448e+01 1.44 6.563603240e+00 1.434906882e+01 2.142037179e+01 1.46 5.899341746e+00 1.304181513e+01 1.936336233e+01 1.48 5.284284575e+00 1.182283030e+01 1.743852960e+01 1.50 4.715170926e+00 1.068655221e+01 1.563896613e+01 1.52 4.188943411e+00 9.627757627e+00 1.395806692e+01 1.54 3.702735970e+00 8.641542068e+00 1.238948764e+01 1.56 3.253862468e+00 7.723267883e+00 1.092714273e+01 1.58 2.839805937e+00 6.867992109e+00 9.565202442e+00 1.60 2.458208412e+00 6.071872133e+00 8.298088742e+00 1.62 2.106861357e+00 5.331618320e+00 7.120470527e+00 1.64 1.783696635e+00 4.644083367e+00 6.027258080e+00 1.66 1.486777992e+00 4.006259803e+00 5.013597017e+00 1.68 1.214293036e+00 3.415277053e+00 4.074861789e+00 1.70 9.645456811e-01 2.868398145e+00 3.206648850e+00 1.72 7.359490268e-01 2.363016145e+00 2.404769582e+00 1.74 5.270186593e-01 1.896650358e+00 1.665243041e+00 1.76 3.363663416e-01 1.466937918e+00 9.842885951e-01 1.78 1.626940766e-01 1.071585482e+00 3.583185201e-01 1.80 4.788520809e-03 7.083962412e-01 -2.160694190e-01 1.82 -1.384842707e-01 3.752961079e-01 -7.420993423e-01 1.84 -2.681837861e-01 7.032851726e-02 -1.222824557e+00 1.86 -3.852997044e-01 -2.083513445e-01 -1.661134755e+00 1.88 -4.907562636e-01 -4.624821021e-01 -2.059763085e+00 1.90 -5.854163675e-01 -6.937015443e-01 -2.421293074e+00 1.92 -6.700854444e-01 -9.035517696e-01 -2.748165387e+00 1.94 -7.455150724e-01 -1.093484124e+00 -3.042684401e+00 1.96 -8.124063858e-01 -1.264863937e+00 -3.307024598e+00 1.98 -8.714132736e-01 -1.418975050e+00 -3.543236760e+00 2.00 -9.231453841e-01 -1.557024160e+00 -3.753253955e+00 2.02 -9.681709448e-01 -1.680144955e+00 -3.938897326e+00 2.04 -1.007019411e+00 -1.789402075e+00 -4.101881665e+00 2.06 -1.040183950e+00 -1.885794883e+00 -4.243820781e+00 2.08 -1.068123776e+00 -1.970261060e+00 -4.366232662e+00 2.10 -1.091266335e+00 -2.043680033e+00 -4.470544425e+00 2.12 -1.110009362e+00 -2.106876230e+00 -4.558097068e+00 2.14 -1.124722803e+00 -2.160622182e+00 -4.630150016e+00 2.16 -1.135750627e+00 -2.205641467e+00 -4.687885479e+00 2.18 -1.143412515e+00 -2.242611507e+00 -4.732412607e+00 2.20 -1.148005451e+00 -2.272166226e+00 -4.764771465e+00 2.22 -1.149805214e+00 -2.294898568e+00 -4.785936826e+00 2.24 -1.149067768e+00 -2.311362885e+00 -4.796821784e+00 2.26 -1.146030578e+00 -2.322077205e+00 -4.798281198e+00 2.28 -1.140913832e+00 -2.327525371e+00 -4.791114974e+00 2.30 -1.133921592e+00 -2.328159079e+00 -4.776071178e+00 2.32 -1.125242873e+00 -2.324399796e+00 -4.753849009e+00 2.34 -1.115052648e+00 -2.316640580e+00 -4.725101615e+00 2.36 -1.103512798e+00 -2.305247803e+00 -4.690438767e+00 2.38 -1.090772996e+00 -2.290562776e+00 -4.650429405e+00 2.40 -1.076971537e+00 -2.272903286e+00 -4.605604043e+00 2.42 -1.062236115e+00 -2.252565050e+00 -4.556457061e+00 2.44 -1.046684552e+00 -2.229823088e+00 -4.503448864e+00 2.46 -1.030425478e+00 -2.204933017e+00 -4.447007937e+00 2.48 -1.013558972e+00 -2.178132276e+00 -4.387532790e+00 2.50 -9.961771577e-01 -2.149641283e+00 -4.325393794e+00 2.52 -9.783647642e-01 -2.119664517e+00 -4.260934917e+00 2.54 -9.601996513e-01 -2.088391558e+00 -4.194475374e+00 2.56 -9.417532995e-01 -2.055998042e+00 -4.126311174e+00 2.58 -9.230912700e-01 -2.022646588e+00 -4.056716590e+00 2.60 -9.042736350e-01 -1.988487650e+00 -3.985945540e+00 2.62 -8.853553805e-01 -1.953660331e+00 -3.914232891e+00 2.64 -8.663867832e-01 -1.918293145e+00 -3.841795684e+00 2.66 -8.474137628e-01 -1.882504738e+00 -3.768834291e+00 2.68 -8.284782118e-01 -1.846404557e+00 -3.695533496e+00 2.70 -8.096183025e-01 -1.810093486e+00 -3.622063506e+00 2.72 -7.908687742e-01 -1.773664438e+00 -3.548580901e+00 2.74 -7.722611997e-01 -1.737202905e+00 -3.475229513e+00 2.76 -7.538242327e-01 -1.700787470e+00 -3.402141239e+00 2.78 -7.355838366e-01 -1.664490289e+00 -3.329436795e+00 2.80 -7.175634933e-01 -1.628377520e+00 -3.257226396e+00 2.82 -6.997843948e-01 -1.592509722e+00 -3.185610376e+00 2.84 -6.822656142e-01 -1.556942211e+00 -3.114679733e+00 2.86 -6.650242567e-01 -1.521725368e+00 -3.044516613e+00 2.88 -6.480755895e-01 -1.486904910e+00 -2.975194704e+00 2.90 -6.314331490e-01 -1.452522098e+00 -2.906779571e+00 2.92 -6.151088229e-01 -1.418613902e+00 -2.839328895e+00 2.94 -5.991129056e-01 -1.385213104e+00 -2.772892631e+00 2.96 -5.834541253e-01 -1.352348331e+00 -2.707513088e+00 2.98 -5.681396400e-01 -1.320044031e+00 -2.643224906e+00 3.00 -5.531750015e-01 -1.288320372e+00 -2.580054964e+00 3.02 -5.385640883e-01 -1.257193072e+00 -2.518022190e+00 3.04 -5.243090082e-01 -1.226673162e+00 -2.457137317e+00 3.06 -5.104099777e-01 -1.196766703e+00 -2.397402587e+00 3.08 -4.968651849e-01 -1.167474453e+00 -2.338811422e+00 3.10 -4.836706530e-01 -1.138791542e+00 -2.281348120e+00 3.12 -4.708201217e-01 -1.110707174e+00 -2.224987608e+00 3.14 -4.583049734e-01 -1.083204414e+00 -2.169695301e+00 3.16 -4.461142322e-01 -1.056260132e+00 -2.115427147e+00 3.18 -4.342346676e-01 -1.029845146e+00 -2.062129889e+00 3.20 -4.226510292e-01 -1.003924642e+00 -2.009741614e+00 3.22 -4.113464312e-01 -9.784589032e-01 -1.958192616e+00 3.24 -4.003028896e-01 -9.534043598e-01 -1.907406572e+00 3.26 -3.895019945e-01 -9.287149266e-01 -1.857302008e+00 3.28 -3.789256766e-01 -9.043435585e-01 -1.807793990e+00 3.30 -3.685570041e-01 -8.802438979e-01 -1.758795934e+00 3.32 -3.583809355e-01 -8.563718654e-01 -1.710221402e+00 3.34 -3.483849478e-01 -8.326870386e-01 -1.661985767e+00 3.36 -3.385594739e-01 -8.091536814e-01 -1.614007606e+00 3.38 -3.288981052e-01 -7.857413382e-01 -1.566209746e+00 3.40 -3.193975476e-01 -7.624249652e-01 -1.518519933e+00 3.42 -3.100573526e-01 -7.391846465e-01 -1.470871140e+00 3.44 -3.008794697e-01 -7.160049961e-01 -1.423201623e+00 3.46 -2.918676848e-01 -6.928743877e-01 -1.375454861e+00 3.48 -2.830270129e-01 -6.697841705e-01 -1.327579554e+00 3.50 -2.743631044e-01 -6.467280156e-01 -1.279529872e+00 3.52 -2.658817149e-01 -6.237015163e-01 -1.231266121e+00 3.54 -2.575882657e-01 -6.007021214e-01 -1.182755963e+00 3.56 -2.494875108e-01 -5.777294426e-01 -1.133976283e+00 3.58 -2.415833073e-01 -5.547859323e-01 -1.084915699e+00 3.60 -2.338784809e-01 -5.318778892e-01 -1.035577668e+00 3.62 -2.263747701e-01 -5.090167117e-01 -9.859840232e-01 3.64 -2.190728304e-01 -4.862202883e-01 -9.361787113e-01 3.66 -2.119722823e-01 -4.635143830e-01 -8.862313886e-01 3.68 -2.050717861e-01 -4.409338544e-01 -8.362404794e-01 3.70 -1.983691329e-01 -4.185235315e-01 -7.863352440e-01 3.72 -1.918613395e-01 -3.963385753e-01 -7.366763953e-01 3.74 -1.855447418e-01 -3.744441734e-01 -6.874548619e-01 3.76 -1.794150813e-01 -3.529144629e-01 -6.388884106e-01 3.78 -1.734675820e-01 -3.318306432e-01 -5.912160265e-01 3.80 -1.676970153e-01 -3.112783284e-01 -5.446901953e-01 3.82 -1.620977540e-01 -2.913442802e-01 -4.995674881e-01 3.84 -1.566638132e-01 -2.721127538e-01 -4.560981025e-01 3.86 -1.513888815e-01 -2.536617530e-01 -4.145151845e-01 3.88 -1.462663417e-01 -2.360595148e-01 -3.750248394e-01 3.90 -1.412892821e-01 -2.193615276e-01 -3.377976835e-01 3.92 -1.364505021e-01 -2.036083290e-01 -3.029626218e-01 3.94 -1.317425107e-01 -1.888242339e-01 -2.706032708e-01 3.96 -1.271575224e-01 -1.750170383e-01 -2.407571460e-01 3.98 -1.226874520e-01 -1.621786365e-01 -2.134174468e-01 4.00 -1.183239102e-01 -1.502864084e-01 -1.885369486e-01 4.02 -1.140582053e-01 -1.393051779e-01 -1.660335713e-01 4.04 -1.098813531e-01 -1.291895235e-01 -1.457969045e-01 4.06 -1.057841003e-01 -1.198862286e-01 -1.276951234e-01 4.08 -1.017569679e-01 -1.113366936e-01 -1.115816832e-01 4.10 -9.779032175e-02 -1.034791829e-01 -9.730147838e-02 4.12 -9.387447515e-02 -9.625081076e-02 -8.469625314e-02 4.14 -8.999983462e-02 -8.958881652e-02 -7.360799706e-02 4.16 -8.615709414e-02 -8.343228905e-02 -6.388335395e-02 4.18 -8.233748607e-02 -7.772448007e-02 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