# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AgPt # 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 B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan 0.76 nan nan nan nan 1.129618899e+03 1.129618899e+03 nan nan 0.78 nan nan nan nan 1.021878953e+03 1.021878953e+03 nan nan 0.80 nan nan nan nan 9.255420292e+02 9.255420292e+02 nan nan 0.82 nan nan nan nan 8.391713673e+02 8.391713673e+02 nan nan 0.84 nan nan nan nan 7.615567939e+02 7.615567939e+02 nan nan 0.86 nan nan nan nan 6.916686831e+02 6.916686831e+02 nan nan 0.88 1.034740118e+03 1.034740118e+03 nan nan 6.286259318e+02 6.286259318e+02 nan nan 0.90 9.438663027e+02 9.438663027e+02 nan nan 5.716714019e+02 5.716714019e+02 nan nan 0.92 8.616704767e+02 8.616704767e+02 nan nan 5.201535192e+02 5.201535192e+02 nan nan 0.94 7.872131972e+02 7.872131972e+02 nan nan 4.735019186e+02 4.735019186e+02 nan nan 0.96 7.196792462e+02 7.196792462e+02 nan nan 4.312206863e+02 4.312206863e+02 nan nan 0.98 6.583537008e+02 6.583537008e+02 nan nan 3.928727258e+02 3.928727258e+02 9.698574281e+02 9.698574281e+02 1.00 6.026044559e+02 6.026044559e+02 8.362545953e+02 8.362545953e+02 3.580726691e+02 3.580726691e+02 8.900391579e+02 8.900391579e+02 1.02 5.518816660e+02 5.518816660e+02 7.676664581e+02 7.676664581e+02 3.264758564e+02 3.264758564e+02 8.174919813e+02 8.174919813e+02 1.04 5.056938910e+02 5.056938910e+02 7.052241369e+02 7.052241369e+02 2.977763072e+02 2.977763072e+02 7.514866804e+02 7.514866804e+02 1.06 4.636084043e+02 4.636084043e+02 6.483291702e+02 6.483291702e+02 2.717004607e+02 2.717004607e+02 6.913766327e+02 6.913766327e+02 1.08 4.252339669e+02 4.252339669e+02 5.964428796e+02 5.964428796e+02 2.479994894e+02 2.479994894e+02 6.365833655e+02 6.365833655e+02 1.10 3.902241542e+02 3.902241542e+02 5.490911547e+02 5.490911547e+02 2.264527441e+02 2.264527441e+02 5.865940311e+02 5.865940311e+02 1.12 3.582669893e+02 3.582669893e+02 5.058448166e+02 5.058448166e+02 2.068592726e+02 2.068592726e+02 5.409485446e+02 5.409485446e+02 1.14 3.290818153e+02 3.290818153e+02 4.663171732e+02 4.663171732e+02 1.890361098e+02 1.890361098e+02 4.992337239e+02 4.992337239e+02 1.16 3.024143107e+02 3.024143107e+02 4.301631196e+02 4.301631196e+02 1.728190501e+02 1.728190501e+02 4.610793499e+02 4.610793499e+02 1.18 2.780339099e+02 2.780339099e+02 3.970703743e+02 3.970703743e+02 1.580589783e+02 1.580589783e+02 4.261506039e+02 4.261506039e+02 1.20 2.557356642e+02 2.557356642e+02 3.667566588e+02 3.667566588e+02 1.446195059e+02 1.446195059e+02 3.941468966e+02 3.941468966e+02 1.22 2.353314775e+02 2.353314775e+02 3.389659143e+02 3.389659143e+02 1.323763298e+02 1.323763298e+02 3.647982108e+02 3.647982108e+02 1.24 2.166501192e+02 2.166501192e+02 3.134719552e+02 3.134719552e+02 1.212194457e+02 1.212194457e+02 3.378611060e+02 3.378611060e+02 1.26 1.995376119e+02 1.995376119e+02 2.900664582e+02 2.900664582e+02 1.110469342e+02 1.110469342e+02 3.131151429e+02 3.131151429e+02 1.28 1.838535693e+02 1.838535693e+02 2.685610916e+02 2.685610916e+02 1.017664761e+02 1.017664761e+02 2.903606402e+02 2.903606402e+02 1.30 1.694681577e+02 1.694681577e+02 2.487827225e+02 2.487827225e+02 9.329275901e+01 9.329275901e+01 2.694188548e+02 2.694188548e+02 1.32 1.562664959e+02 1.562664959e+02 2.305791528e+02 2.305791528e+02 8.555125750e+01 8.555125750e+01 2.501269965e+02 2.501269965e+02 1.34 1.441439484e+02 1.441439484e+02 2.138113034e+02 2.138113034e+02 7.847367248e+01 7.847367248e+01 2.323375648e+02 2.323375648e+02 1.36 1.330047140e+02 1.330047140e+02 1.983522837e+02 1.983522837e+02 7.199755863e+01 7.199755863e+01 2.159185381e+02 2.159185381e+02 1.38 1.227614804e+02 1.227614804e+02 1.840874250e+02 1.840874250e+02 6.606640108e+01 6.606640108e+01 2.007497273e+02 2.007497273e+02 1.40 1.133348744e+02 1.133348744e+02 1.709124591e+02 1.709124591e+02 6.062899220e+01 6.062899220e+01 1.867220968e+02 1.867220968e+02 1.42 1.046529129e+02 1.046529129e+02 1.587317423e+02 1.587317423e+02 5.563857860e+01 5.563857860e+01 1.737363632e+02 1.737363632e+02 1.44 9.665014611e+01 9.665014611e+01 1.474611069e+02 1.474611069e+02 5.105413072e+01 5.105413072e+01 1.617028467e+02 1.617028467e+02 1.46 8.926705220e+01 8.926705220e+01 1.370227528e+02 1.370227528e+02 4.683792955e+01 4.683792955e+01 1.505418728e+02 1.505418728e+02 1.48 8.244914261e+01 8.244914261e+01 1.273463110e+02 1.273463110e+02 4.295585343e+01 4.295585343e+01 1.401800238e+02 1.401800238e+02 1.50 7.614710177e+01 7.614710177e+01 1.183680596e+02 1.183680596e+02 3.937714196e+01 3.937714196e+01 1.305513651e+02 1.305513651e+02 1.52 7.031775938e+01 7.031775938e+01 1.100300668e+02 1.100300668e+02 3.607409784e+01 3.607409784e+01 1.215956501e+02 1.215956501e+02 1.54 6.492092042e+01 6.492092042e+01 1.022794580e+02 1.022794580e+02 3.302142932e+01 3.302142932e+01 1.132579686e+02 1.132579686e+02 1.56 5.991998824e+01 5.991998824e+01 9.506784704e+01 9.506784704e+01 3.019653221e+01 3.019653221e+01 1.054889402e+02 1.054889402e+02 1.58 5.528174756e+01 5.528174756e+01 8.835170957e+01 8.835170957e+01 2.757903551e+01 2.757903551e+01 9.824342677e+01 9.824342677e+01 1.60 5.097598829e+01 5.097598829e+01 8.209310194e+01 8.209310194e+01 2.515264933e+01 2.515264933e+01 9.148039239e+01 9.148039239e+01 1.62 4.697438829e+01 4.697438829e+01 7.625582367e+01 7.625582367e+01 2.290567523e+01 2.290567523e+01 8.516301908e+01 8.516301908e+01 1.64 4.325340175e+01 4.325340175e+01 7.080768488e+01 7.080768488e+01 2.083026087e+01 2.083026087e+01 7.925762122e+01 7.925762122e+01 1.66 3.979046221e+01 3.979046221e+01 6.571898030e+01 6.571898030e+01 1.887955040e+01 1.887955040e+01 7.373343236e+01 7.373343236e+01 1.68 3.656508617e+01 3.656508617e+01 6.096265936e+01 6.096265936e+01 1.710361053e+01 1.710361053e+01 6.856244915e+01 6.856244915e+01 1.70 3.355862478e+01 3.355862478e+01 5.651406152e+01 5.651406152e+01 1.545753400e+01 1.545753400e+01 6.371899224e+01 6.371899224e+01 1.72 3.075407458e+01 3.075407458e+01 5.235054958e+01 5.235054958e+01 1.393080229e+01 1.393080229e+01 5.917925925e+01 5.917925925e+01 1.74 2.813602568e+01 2.813602568e+01 4.845173304e+01 4.845173304e+01 1.251424693e+01 1.251424693e+01 5.492194632e+01 5.492194632e+01 1.76 2.569141864e+01 2.569141864e+01 4.479880474e+01 4.479880474e+01 1.119947132e+01 1.119947132e+01 5.092785584e+01 5.092785584e+01 1.78 2.340988393e+01 2.340988393e+01 4.137364897e+01 4.137364897e+01 9.978489227e+00 9.978489227e+00 4.717877201e+01 4.717877201e+01 1.80 2.128667415e+01 2.128667415e+01 3.816107418e+01 3.816107418e+01 8.844792042e+00 8.844792042e+00 4.365826941e+01 4.365826941e+01 1.82 1.927723294e+01 1.927723294e+01 3.514705020e+01 3.514705020e+01 7.792464023e+00 7.792464023e+00 4.035125602e+01 4.035125602e+01 1.84 1.743477261e+01 1.743477261e+01 3.231823893e+01 3.231823893e+01 6.815940760e+00 6.815940760e+00 3.724382496e+01 3.724382496e+01 1.86 1.571725734e+01 1.571725734e+01 2.966237238e+01 2.966237238e+01 5.910145598e+00 5.910145598e+00 3.432304787e+01 3.432304787e+01 1.88 1.411613313e+01 1.411613313e+01 2.716814548e+01 2.716814548e+01 5.070367965e+00 5.070367965e+00 3.157700891e+01 3.157700891e+01 1.90 1.262358645e+01 1.262358645e+01 2.482737880e+01 2.482737880e+01 4.292244464e+00 4.292244464e+00 2.899466585e+01 2.899466585e+01 1.92 1.123253504e+01 1.123253504e+01 2.260244056e+01 2.260244056e+01 3.572125927e+00 3.572125927e+00 2.656575712e+01 2.656575712e+01 1.94 9.936498639e+00 9.936498639e+00 2.055005726e+01 2.055005726e+01 2.906452809e+00 2.906452809e+00 2.425109731e+01 2.425109731e+01 1.96 8.729541761e+00 8.729541761e+00 1.862831089e+01 1.862831089e+01 2.291921660e+00 2.291921660e+00 2.211014310e+01 2.211014310e+01 1.98 7.606094662e+00 7.606094662e+00 1.682899934e+01 1.682899934e+01 1.725224636e+00 1.725224636e+00 2.010321529e+01 2.010321529e+01 2.00 6.561255400e+00 6.561255400e+00 1.514501709e+01 1.514501709e+01 1.204048075e+00 1.204048075e+00 1.822238376e+01 1.822238376e+01 2.02 5.590390935e+00 5.590390935e+00 1.356957761e+01 1.356957761e+01 7.255755605e-01 7.255755605e-01 1.646029963e+01 1.646029963e+01 2.04 4.689193037e+00 4.689193037e+00 1.209636552e+01 1.209636552e+01 2.870386085e-01 2.870386085e-01 1.480970721e+01 1.480970721e+01 2.06 3.853653095e+00 3.853653095e+00 1.071947866e+01 1.071947866e+01 -1.138085105e-01 -1.138085105e-01 1.326455518e+01 1.326455518e+01 2.08 3.080028077e+00 3.080028077e+00 9.433385508e+00 9.433385508e+00 -4.794962607e-01 -4.794962607e-01 1.181896484e+01 1.181896484e+01 2.10 2.364810761e+00 2.364810761e+00 8.233053665e+00 8.233053665e+00 -8.122734906e-01 -8.122734906e-01 1.046750723e+01 1.046750723e+01 2.12 1.704703752e+00 1.704703752e+00 7.113159043e+00 7.113159043e+00 -1.114514010e+00 -1.114514010e+00 9.205016782e+00 9.205016782e+00 2.14 1.096597019e+00 1.096597019e+00 6.069675094e+00 6.069675094e+00 -1.388024748e+00 -1.388024748e+00 8.026583767e+00 8.026583767e+00 2.16 5.375529503e-01 5.375529503e-01 5.098549291e+00 5.098549291e+00 -1.634596152e+00 -1.634596152e+00 6.927594738e+00 6.927594738e+00 2.18 2.436511198e-02 2.436511198e-02 4.195881533e+00 4.195881533e+00 -1.856047266e+00 -1.856047266e+00 5.903770606e+00 5.903770606e+00 2.20 -4.449969095e-01 -4.449969095e-01 3.358071312e+00 3.358071312e+00 -2.054108802e+00 -2.054108802e+00 4.951044089e+00 4.951044089e+00 2.22 -8.731121837e-01 -8.731121837e-01 2.581548681e+00 2.581548681e+00 -2.230528846e+00 -2.230528846e+00 4.065573500e+00 4.065573500e+00 2.24 -1.262363961e+00 -1.262363961e+00 1.863017799e+00 1.863017799e+00 -2.386713736e+00 -2.386713736e+00 3.243713575e+00 3.243713575e+00 2.26 -1.615223658e+00 -1.615223658e+00 1.199343839e+00 1.199343839e+00 -2.523710241e+00 -2.523710241e+00 2.481969902e+00 2.481969902e+00 2.28 -1.934089973e+00 -1.934089973e+00 5.875301978e-01 5.875301978e-01 -2.643390844e+00 -2.643390844e+00 1.777143799e+00 1.777143799e+00 2.30 -2.220959899e+00 -2.220959899e+00 2.470097145e-02 2.470097145e-02 -2.747070723e+00 -2.747070723e+00 1.126028991e+00 1.126028991e+00 2.32 -2.477791937e+00 -2.477791937e+00 -4.919216964e-01 -4.919216964e-01 -2.836253023e+00 -2.836253023e+00 5.255037692e-01 5.255037692e-01 2.34 -2.706524825e+00 -2.706524825e+00 -9.648287116e-01 -9.648287116e-01 -2.911858918e+00 -2.911858918e+00 -2.698596631e-02 -2.698596631e-02 2.36 -2.909016091e+00 -2.909016091e+00 -1.396044283e+00 -1.396044283e+00 -2.974985575e+00 -2.974985575e+00 -5.341136521e-01 -5.341136521e-01 2.38 -3.087381351e+00 -3.087381351e+00 -1.788353392e+00 -1.788353392e+00 -3.026657409e+00 -3.026657409e+00 -9.983013408e-01 -9.983013408e-01 2.40 -3.243288084e+00 -3.243288084e+00 -2.143832174e+00 -2.143832174e+00 -3.067831001e+00 -3.067831001e+00 -1.421800430e+00 -1.421800430e+00 2.42 -3.377992526e+00 -3.377992526e+00 -2.464909921e+00 -2.464909921e+00 -3.099447095e+00 -3.099447095e+00 -1.807298265e+00 -1.807298265e+00 2.44 -3.493043727e+00 -3.493043727e+00 -2.753616953e+00 -2.753616953e+00 -3.122292563e+00 -3.122292563e+00 -2.156822029e+00 -2.156822029e+00 2.46 -3.589587946e+00 -3.589587946e+00 -3.011929041e+00 -3.011929041e+00 -3.137132470e+00 -3.137132470e+00 -2.472803585e+00 -2.472803585e+00 2.48 -3.669148444e+00 -3.669148444e+00 -3.241745528e+00 -3.241745528e+00 -3.144684902e+00 -3.144684902e+00 -2.757218271e+00 -2.757218271e+00 2.50 -3.733491786e+00 -3.733491786e+00 -3.444884781e+00 -3.444884781e+00 -3.145615410e+00 -3.145615410e+00 -3.011947784e+00 -3.011947784e+00 2.52 -3.783649286e+00 -3.783649286e+00 -3.623087061e+00 -3.623087061e+00 -3.140540062e+00 -3.140540062e+00 -3.238861585e+00 -3.238861585e+00 2.54 -3.820819775e+00 -3.820819775e+00 -3.778016997e+00 -3.778016997e+00 -3.130028449e+00 -3.130028449e+00 -3.439746251e+00 -3.439746251e+00 2.56 -3.846125083e+00 -3.846125083e+00 -3.911265757e+00 -3.911265757e+00 -3.114606629e+00 -3.114606629e+00 -3.616346887e+00 -3.616346887e+00 2.58 -3.860619427e+00 -3.860619427e+00 -4.024352949e+00 -4.024352949e+00 -3.094768456e+00 -3.094768456e+00 -3.770418566e+00 -3.770418566e+00 2.60 -3.865291299e+00 -3.865291299e+00 -4.118728318e+00 -4.118728318e+00 -3.070641458e+00 -3.070641458e+00 -3.903354649e+00 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