# 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 = AgTa3 # 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 4.511797608e+02 nan nan 1.16 4.159130798e+02 nan nan 1.18 3.834930522e+02 nan nan 1.20 3.536716106e+02 nan nan 1.22 3.262263446e+02 nan nan 1.24 3.009548112e+02 nan nan 1.26 2.776700317e+02 nan nan 1.28 2.561990207e+02 3.923613784e+02 4.480914673e+02 1.30 2.363835817e+02 3.641625064e+02 4.166517932e+02 1.32 2.180813024e+02 3.380424186e+02 3.874934300e+02 1.34 2.011652460e+02 3.138362732e+02 3.604323152e+02 1.36 1.855222590e+02 2.913925341e+02 3.353019294e+02 1.38 1.710506947e+02 2.705719666e+02 3.119521864e+02 1.40 1.576582748e+02 2.512471482e+02 2.902469787e+02 1.42 1.452604230e+02 2.333020043e+02 2.700615042e+02 1.44 1.337792036e+02 2.166307410e+02 2.512801840e+02 1.46 1.231428660e+02 2.011361347e+02 2.337956152e+02 1.48 1.132857128e+02 1.867277605e+02 2.175085648e+02 1.50 1.041478629e+02 1.733208493e+02 2.023284100e+02 1.52 9.567471736e+01 1.608360978e+02 1.881731641e+02 1.54 8.781629537e+01 1.492002277e+02 1.749687246e+02 1.56 8.052666862e+01 1.383467441e+02 1.626477015e+02 1.58 7.376355438e+01 1.282163225e+02 1.511483786e+02 1.60 6.748799495e+01 1.187565399e+02 1.404140417e+02 1.62 6.166404392e+01 1.099210408e+02 1.303925368e+02 1.64 5.625843490e+01 1.016684577e+02 1.210357976e+02 1.66 5.124027489e+01 9.396139419e+01 1.122992070e+02 1.68 4.658084382e+01 8.676561523e+01 1.041408677e+02 1.70 4.225355687e+01 8.004943517e+01 9.652099624e+01 1.72 3.823405231e+01 7.378322732e+01 8.940164492e+01 1.74 3.450027051e+01 6.793899865e+01 8.274681462e+01 1.76 3.103237726e+01 6.249003676e+01 7.652283715e+01 1.78 2.782078676e+01 5.741068177e+01 7.069878976e+01 1.80 2.485704382e+01 5.267626224e+01 6.524672325e+01 1.82 2.212482240e+01 4.826317457e+01 6.014161350e+01 1.84 1.960946516e+01 4.414903165e+01 5.536107901e+01 1.86 1.729601683e+01 4.031279715e+01 5.088497098e+01 1.88 1.517012276e+01 3.673485365e+01 4.669493448e+01 1.90 1.321813629e+01 3.339699394e+01 4.277400456e+01 1.92 1.142717457e+01 3.028251547e+01 3.910627018e+01 1.94 9.785164485e+00 2.738328296e+01 3.567662068e+01 1.96 8.280843311e+00 2.469187541e+01 3.247057952e+01 1.98 6.903701622e+00 2.219461789e+01 2.947513088e+01 2.00 5.643879215e+00 1.987901036e+01 2.668674122e+01 2.02 4.492045201e+00 1.773221268e+01 2.409442646e+01 2.04 3.439304545e+00 1.574190404e+01 2.168508960e+01 2.06 2.477166353e+00 1.389663683e+01 1.944732257e+01 2.08 1.597583562e+00 1.218591424e+01 1.737025997e+01 2.10 7.930420097e-01 1.060021117e+01 1.544341084e+01 2.12 5.665757176e-02 9.130927515e+00 1.365702692e+01 2.14 -6.177569017e-01 7.770292263e+00 1.200194764e+01 2.16 -1.235673560e+00 6.511247316e+00 1.046943128e+01 2.18 -1.801878124e+00 5.347333927e+00 9.051009639e+00 2.20 -2.320531269e+00 4.272591240e+00 7.738404952e+00 2.22 -2.795248203e+00 3.281466015e+00 6.523536356e+00 2.24 -3.229185888e+00 2.368728813e+00 5.398618390e+00 2.26 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-6.471942354e+00 -5.686246523e+00 -5.180719755e+00 2.64 -6.483720226e+00 -5.826489131e+00 -5.367885421e+00 2.66 -6.485230144e+00 -5.950245317e+00 -5.532581922e+00 2.68 -6.476448320e+00 -6.058616124e+00 -5.676581642e+00 2.70 -6.457405237e+00 -6.152696344e+00 -5.801631050e+00 2.72 -6.428187968e+00 -6.233567046e+00 -5.909432950e+00 2.74 -6.388941741e+00 -6.302200396e+00 -6.001493136e+00 2.76 -6.339868356e+00 -6.359469660e+00 -6.079189680e+00 2.78 -6.281219812e+00 -6.406160685e+00 -6.144223751e+00 2.80 -6.213286865e+00 -6.442983396e+00 -6.198127376e+00 2.82 -6.136383773e+00 -6.470554223e+00 -6.242240115e+00 2.84 -6.050831810e+00 -6.489184767e+00 -6.277718618e+00 2.86 -5.956944731e+00 -6.499049922e+00 -6.305554824e+00 2.88 -5.855019101e+00 -6.500250902e+00 -6.326598275e+00 2.90 -5.745331639e+00 -6.492887446e+00 -6.341555150e+00 2.92 -5.628144732e+00 -6.477114626e+00 -6.350681219e+00 2.94 -5.503720394e+00 -6.453134483e+00 -6.353972989e+00 2.96 -5.372342119e+00 -6.421186844e+00 -6.351492686e+00 2.98 -5.234343186e+00 -6.381539737e+00 -6.343356234e+00 3.00 -5.090141542e+00 -6.334479578e+00 -6.329715763e+00 3.02 -4.940367402e+00 -6.280301547e+00 -6.310746192e+00 3.04 -4.785649074e+00 -6.219300719e+00 -6.286635064e+00 3.06 -4.626702075e+00 -6.151764597e+00 -6.257574693e+00 3.08 -4.464419757e+00 -6.077967800e+00 -6.223755743e+00 3.10 -4.299852576e+00 -5.998169637e+00 -6.185361694e+00 3.12 -4.134167507e+00 -5.912615240e+00 -6.142563952e+00 3.14 -3.968589803e+00 -5.821540671e+00 -6.095517592e+00 3.16 -3.804336590e+00 -5.725181930e+00 -6.044357922e+00 3.18 -3.642554037e+00 -5.623787231e+00 -5.989198090e+00 3.20 -3.484239060e+00 -5.517631200e+00 -5.930127928e+00 3.22 -3.330185164e+00 -5.407029083e+00 -5.867214196e+00 3.24 -3.180953968e+00 -5.292348856e+00 -5.800502222e+00 3.26 -3.036871340e+00 -5.174121230e+00 -5.730018840e+00 3.28 -2.898046656e+00 -5.052810541e+00 -5.655776341e+00 3.30 -2.764410426e+00 -4.928804397e+00 -5.577777046e+00 3.32 -2.635763542e+00 -4.802559102e+00 -5.496018009e+00 3.34 -2.511830767e+00 -4.674576390e+00 -5.410495317e+00 3.36 -2.392311633e+00 -4.545374871e+00 -5.321208610e+00 3.38 -2.276923203e+00 -4.415459338e+00 -5.228242379e+00 3.40 -2.165430894e+00 -4.285299003e+00 -5.131588436e+00 3.42 -2.057665527e+00 -4.155302824e+00 -5.031172817e+00 3.44 -1.953526684e+00 -4.025788630e+00 -4.926934965e+00 3.46 -1.852974214e+00 -3.896972969e+00 -4.818823672e+00 3.48 -1.756011127e+00 -3.768970497e+00 -4.706793261e+00 3.50 -1.662661899e+00 -3.641801043e+00 -4.590800663e+00 3.52 -1.572950333e+00 -3.515402819e+00 -4.470804104e+00 3.54 -1.486880581e+00 -3.389650004e+00 -4.346769065e+00 3.56 -1.404423822e+00 -3.264373013e+00 -4.218676514e+00 3.58 -1.325511830e+00 -3.139380091e+00 -4.086519957e+00 3.60 -1.250037346e+00 -3.014479165e+00 -3.950314152e+00 3.62 -1.177860193e+00 -2.889499221e+00 -3.810108150e+00 3.64 -1.108817464e+00 -2.764310605e+00 -3.666001121e+00 3.66 -1.042735886e+00 -2.638843702e+00 -3.518160170e+00 3.68 -9.794445557e-01 -2.513105329e+00 -3.366838917e+00 3.70 -9.187865393e-01 -2.387192059e+00 -3.212395196e+00 3.72 -8.606282015e-01 -2.261299494e+00 -3.055305817e+00 3.74 -8.048655437e-01 -2.135726467e+00 -2.896176201e+00 3.76 -7.514271989e-01 -2.010873187e+00 -2.735742708e+00 3.78 -7.002740784e-01 -1.887232669e+00 -2.574865877e+00 3.80 -6.513959593e-01 -1.765375229e+00 -2.414513559e+00 3.82 -6.048055550e-01 -1.645926550e+00 -2.255733938e+00 3.84 -5.605308058e-01 -1.529540567e+00 -2.099619731e+00 3.86 -5.186062464e-01 -1.416869119e+00 -1.947266044e+00 3.88 -4.790643394e-01 -1.308530872e+00 -1.799725403e+00 3.90 -4.419275997e-01 -1.205082161e+00 -1.657963984e+00 3.92 -4.072021759e-01 -1.106992269e+00 -1.522823015e+00 3.94 -3.748733353e-01 -1.014625071e+00 -1.394988678e+00 3.96 -3.449030346e-01 -9.282282014e-01 -1.274972720e+00 3.98 -3.172295266e-01 -8.479300041e-01 -1.163104624e+00 4.00 -2.917687429e-01 -7.737436753e-01 -1.059534850e+00 4.02 -2.684170159e-01 -7.055773528e-01 -9.642475535e-01 4.04 -2.470545334e-01 -6.432485285e-01 -8.770804660e-01 4.06 -2.275502518e-01 -5.865010306e-01 -7.977493264e-01 4.08 -2.097655868e-01 -5.350229410e-01 -7.258743268e-01 4.10 -1.935583192e-01 -4.884640784e-01 -6.610063993e-01 4.12 -1.787862004e-01 -4.464520482e-01 -6.026516756e-01 4.14 -1.653099725e-01 -4.086061838e-01 -5.502930142e-01 4.16 -1.529957783e-01 -3.745490925e-01 -5.034080014e-01 4.18 -1.417169898e-01 -3.439157168e-01 -4.614832620e-01 4.20 -1.313555235e-01 -3.163600393e-01 -4.240252275e-01 4.22 -1.218027284e-01 -2.915596638e-01 -3.905677138e-01 4.24 -1.129599340e-01 -2.692185582e-01 -3.606767697e-01 4.26 -1.047387490e-01 -2.490682621e-01 -3.339532954e-01 4.28 -9.706117534e-02 -2.308678510e-01 -3.100339146e-01 4.30 -8.985958998e-02 -2.144029300e-01 -2.885905376e-01 4.32 -8.307662022e-02 -1.994839081e-01 -2.693289954e-01 4.34 -7.666491828e-02 -1.859437828e-01 -2.519870515e-01 4.36 -7.058681428e-02 -1.736356476e-01 -2.363320410e-01 4.38 -6.481381469e-02 -1.624301108e-01 -2.221583239e-01 4.40 -5.932591824e-02 -1.522127966e-01 -2.092846926e-01 4.42 -5.411071202e-02 -1.428820459e-01 -1.975518320e-01 4.44 -4.916222703e-02 -1.343468771e-01 -1.868198960e-01 4.46 -4.447958532e-02 -1.265251625e-01 -1.769662490e-01 4.48 -4.006546891e-02 -1.193429349e-01 -1.678833888e-01 4.50 -3.592450443e-02 -1.127329139e-01 -1.594769650e-01 4.52 -3.206168851e-02 -1.066336863e-01 -1.516641063e-01 4.54 -2.848096991e-02 -1.009891689e-01 -1.443723887e-01 4.56 -2.518397192e-02 -9.574798489e-02 -1.375380305e-01 4.58 -2.216893280e-02 -9.086366035e-02 -1.311047663e-01 4.60 -1.943144749e-02 -8.629408860e-02 -1.250228818e-01 4.62 -1.696358297e-02 -8.200110434e-02 -1.192483808e-01 4.64 -1.475403409e-02 -7.795026543e-02 -1.137422783e-01 4.66 -1.278865160e-02 -7.411063212e-02 -1.084700127e-01 4.68 -1.105111207e-02 -7.045455221e-02 -1.034009696e-01 4.70 -9.523641193e-03 -6.695746129e-02 -9.850811057e-02 4.72 -8.187716645e-03 -6.359770665e-02 -9.376769880e-02 4.74 -7.024697093e-03 -6.035640116e-02 -8.915911304e-02 4.76 -6.016345620e-03 -5.721731057e-02 -8.466474064e-02 4.78 -5.145234469e-03 -5.416677410e-02 -8.026993701e-02 4.80 -4.395032617e-03 -5.119365388e-02 -7.596303813e-02 4.82 -3.750687454e-03 -4.828930552e-02 -7.173540089e-02 4.84 -3.198517101e-03 -4.544755272e-02 -6.758145686e-02 4.86 -2.726231821e-03 -4.266466135e-02 -6.349874998e-02 4.88 -2.322902513e-03 -3.993928273e-02 -5.948792681e-02 4.90 -1.978892315e-03 -3.727235227e-02 -5.555265109e-02 4.92 -1.685764662e-03 -3.466692448e-02 -5.169941548e-02 4.94 -1.436178475e-03 -3.212793300e-02 -4.793723235e-02 4.96 -1.223778463e-03 -2.966186855e-02 -4.427719705e-02 4.98 -1.043086249e-03 -2.727637154e-02 -4.073191517e-02 5.00 -8.893961969e-04 -2.497976200e-02 -3.731483040e-02 5.02 -7.586783573e-04 -2.278052842e-02 -3.403948617e-02 5.04 -6.474898312e-04 -2.068680820e-02 -3.091877039e-02 5.06 -5.528950594e-04 -1.870589687e-02 -2.796419965e-02 5.08 -4.723950312e-04 -1.684372600e-02 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-1.550518163e-03 -2.320914510e-03 5.46 -2.718488513e-05 -1.339809635e-03 -2.005526130e-03 5.48 -2.356578246e-05 -1.157435420e-03 -1.732543393e-03 5.50 -2.044329876e-05 -9.997304538e-04 -1.496482644e-03 5.52 -1.774730594e-05 -8.634587380e-04 -1.292501750e-03 5.54 -1.541784740e-05 -7.457756769e-04 -1.116343545e-03 5.56 -1.340362615e-05 -6.441901445e-04 -9.642807626e-04 5.58 -1.166072263e-05 -5.565275646e-04 -8.330584485e-04 5.60 -1.015150660e-05 -4.808948663e-04 -7.198432667e-04 5.62 -8.843713156e-06 -4.156478475e-04 -6.221742702e-04 5.64 -7.709657773e-06 -3.593612335e-04 -5.379181236e-04 5.66 -6.725568897e-06 -3.108015325e-04 -4.652285037e-04 5.68 -5.871020131e-06 -2.689026665e-04 -4.025096427e-04 5.70 -5.128446854e-06 -2.327442636e-04 -3.483838510e-04 5.72 -4.482734466e-06 -2.015324510e-04 -3.016627763e-04 5.74 -3.920867340e-06 -1.745829495e-04 -2.613221069e-04 5.76 -3.431629356e-06 -1.513062637e-04 -2.264794068e-04 5.78 -3.005348266e-06 -1.311947550e-04 -1.963747698e-04 5.80 -2.633677329e-06 -1.138113959e-04 -1.703539871e-04 5.82 -2.309408612e-06 -9.878001091e-05 -1.478539408e-04 5.84 -2.026313291e-06 -8.577682701e-05 -1.283899564e-04 5.86 -1.779004941e-06 -7.452317115e-05 -1.115448717e-04 5.88 -1.562822423e-06 -6.477916858e-05 -9.695960456e-05 5.90 -1.373729471e-06 -5.633831140e-05 -8.432502167e-05 5.92 -1.208228572e-06 -4.902278198e-05 -7.337493861e-05 5.94 -1.063287025e-06 -4.267942936e-05 -6.388009635e-05 5.96 -9.362734238e-07 -3.717630966e-05 -5.564298251e-05 5.98 -8.249030500e-07 -3.239971290e-05 -4.849338046e-05 6.00 -7.271909070e-07 -2.825160852e-05 -4.228454538e-05