# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2007--Silva-A-C-Agren-J-Clavaguera-Mora-M-T-et-al--Al-Ni # implementation = 2007--Silva-A-C--Al-Ni--LAMMPS--ipr1 # composition = Al3Ni # 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 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 3.117232527e+02 nan nan 0.90 2.909826414e+02 nan nan 0.92 2.715361667e+02 nan nan 0.94 2.533059605e+02 nan nan 0.96 2.362187218e+02 3.024701988e+02 nan 0.98 2.202054535e+02 2.837194578e+02 3.003743246e+02 1.00 2.052012147e+02 2.660598558e+02 2.825380010e+02 1.02 1.911448863e+02 2.494300775e+02 2.656892949e+02 1.04 1.779789508e+02 2.337721658e+02 2.497757106e+02 1.06 1.656492841e+02 2.190313421e+02 2.347474579e+02 1.08 1.541049599e+02 2.051558353e+02 2.205573160e+02 1.10 1.432980642e+02 1.920967209e+02 2.071605046e+02 1.12 1.331835209e+02 1.798077672e+02 1.945145609e+02 1.14 1.237189281e+02 1.682452910e+02 1.825792229e+02 1.16 1.148644023e+02 1.573680199e+02 1.713163182e+02 1.18 1.065824325e+02 1.471369624e+02 1.606896588e+02 1.20 9.883774257e+01 1.375152847e+02 1.506649406e+02 1.22 9.159716091e+01 1.284681938e+02 1.412096477e+02 1.24 8.482949820e+01 1.199628274e+02 1.322929622e+02 1.26 7.850543174e+01 1.119681489e+02 1.238856779e+02 1.28 7.259739660e+01 1.044548486e+02 1.159601181e+02 1.30 6.707948289e+01 9.739524959e+01 1.084900582e+02 1.32 6.192733904e+01 9.076321928e+01 1.014506512e+02 1.34 5.711808049e+01 8.453408502e+01 9.481835803e+01 1.36 5.263020370e+01 7.868455466e+01 8.857088010e+01 1.38 4.844350507e+01 7.319264111e+01 8.268709623e+01 1.40 4.453900455e+01 6.803759101e+01 7.714700216e+01 1.42 4.089887362e+01 6.319981724e+01 7.193165329e+01 1.44 3.750636738e+01 5.866083502e+01 6.702311023e+01 1.46 3.434576061e+01 5.440320140e+01 6.240438710e+01 1.48 3.140228752e+01 5.041045806e+01 5.805940237e+01 1.50 2.866208491e+01 4.666707714e+01 5.397293220e+01 1.52 2.611213869e+01 4.315840997e+01 5.013056614e+01 1.54 2.374023344e+01 3.987063864e+01 4.651866502e+01 1.56 2.153490494e+01 3.679073010e+01 4.312432098e+01 1.58 1.948539540e+01 3.390639277e+01 3.993531952e+01 1.60 1.758161133e+01 3.120603545e+01 3.694010341e+01 1.62 1.581408382e+01 2.867872856e+01 3.412773854e+01 1.64 1.417393118e+01 2.631416737e+01 3.148788137e+01 1.66 1.265282371e+01 2.410263727e+01 2.901074814e+01 1.68 1.124295058e+01 2.203498091e+01 2.668708551e+01 1.70 9.936988555e+00 2.010256718e+01 2.450814286e+01 1.72 8.728072635e+00 1.829726177e+01 2.246564583e+01 1.74 7.609768389e+00 1.661139946e+01 2.055177136e+01 1.76 6.576045900e+00 1.503775782e+01 1.875912385e+01 1.78 5.621255240e+00 1.356953239e+01 1.708071271e+01 1.80 4.740103400e+00 1.220031325e+01 1.550993087e+01 1.82 3.927632576e+00 1.092406277e+01 1.404053457e+01 1.84 3.179199734e+00 9.735094731e+00 1.266662405e+01 1.86 2.490457381e+00 8.628054434e+00 1.138262533e+01 1.88 1.857335476e+00 7.597900011e+00 1.018327284e+01 1.90 1.276024414e+00 6.639884724e+00 9.063593019e+00 1.92 7.429590242e-01 5.749540247e+00 8.018888712e+00 1.94 2.548035139e-01 4.922660864e+00 7.044724416e+00 1.96 -1.915626912e-01 4.155288549e+00 6.136912246e+00 1.98 -5.990582535e-01 3.443698860e+00 5.291498651e+00 2.00 -9.704124396e-01 2.784387627e+00 4.504751821e+00 2.02 -1.308176887e+00 2.174058376e+00 3.773149748e+00 2.04 -1.614736664e+00 1.609610441e+00 3.093368903e+00 2.06 -1.892320664e+00 1.088127750e+00 2.462273502e+00 2.08 -2.143011373e+00 6.068682260e-01 1.876905344e+00 2.10 -2.368754045e+00 1.632537890e-01 1.334474172e+00 2.12 -2.571365334e+00 -2.451390893e-01 8.323485433e-01 2.14 -2.752541390e+00 -6.205883041e-01 3.680471787e-01 2.16 -2.913865466e+00 -9.652345347e-01 -6.076923876e-02 2.18 -3.056815071e+00 -1.281089186e+00 -4.563058257e-01 2.20 -3.182768675e+00 -1.570041889e+00 -8.206408513e-01 2.22 -3.293012014e+00 -1.833867572e+00 -1.155732704e+00 2.24 -3.388744003e+00 -2.074233144e+00 -1.463426491e+00 2.26 -3.471082290e+00 -2.292703792e+00 -1.745460285e+00 2.28 -3.541068465e+00 -2.490748928e+00 -2.003471038e+00 2.30 -3.599672954e+00 -2.669747789e+00 -2.239000182e+00 2.32 -3.647799604e+00 -2.830994735e+00 -2.453498928e+00 2.34 -3.686289988e+00 -2.975704235e+00 -2.648333289e+00 2.36 -3.715927444e+00 -3.105015571e+00 -2.824788828e+00 2.38 -3.737440859e+00 -3.219997279e+00 -2.984075154e+00 2.40 -3.751508223e+00 -3.321651328e+00 -3.127330169e+00 2.42 -3.758759952e+00 -3.410917068e+00 -3.255624100e+00 2.44 -3.759782016e+00 -3.488674950e+00 -3.369963306e+00 2.46 -3.755118857e+00 -3.555750029e+00 -3.471293876e+00 2.48 -3.745276135e+00 -3.612915268e+00 -3.560505038e+00 2.50 -3.730723291e+00 -3.660894655e+00 -3.638432380e+00 2.52 -3.711895956e+00 -3.700366134e+00 -3.705860899e+00 2.54 -3.689198203e+00 -3.731964373e+00 -3.763527881e+00 2.56 -3.663004656e+00 -3.756283368e+00 -3.812125623e+00 2.58 -3.633662468e+00 -3.773878894e+00 -3.852304012e+00 2.60 -3.601493167e+00 -3.785270822e+00 -3.884672953e+00 2.62 -3.566794389e+00 -3.790945291e+00 -3.909804675e+00 2.64 -3.529841498e+00 -3.791356762e+00 -3.928235903e+00 2.66 -3.490889099e+00 -3.786929945e+00 -3.940469910e+00 2.68 -3.450172459e+00 -3.778061619e+00 -3.946978460e+00 2.70 -3.407908831e+00 -3.765122341e+00 -3.948203638e+00 2.72 -3.364298693e+00 -3.748458059e+00 -3.944559584e+00 2.74 -3.319526908e+00 -3.728391623e+00 -3.936434128e+00 2.76 -3.273763806e+00 -3.705224218e+00 -3.924190331e+00 2.78 -3.227166199e+00 -3.679236699e+00 -3.908167948e+00 2.80 -3.179878323e+00 -3.650690858e+00 -3.888684796e+00 2.82 -3.132032725e+00 -3.619830608e+00 -3.866038063e+00 2.84 -3.083751087e+00 -3.586883106e+00 -3.840505524e+00 2.86 -3.035144993e+00 -3.552059796e+00 -3.812346705e+00 2.88 -2.986316652e+00 -3.515557401e+00 -3.781803970e+00 2.90 -2.937359569e+00 -3.477558851e+00 -3.749103552e+00 2.92 -2.888359169e+00 -3.438234157e+00 -3.714456526e+00 2.94 -2.839393381e+00 -3.397741226e+00 -3.678059721e+00 2.96 -2.790533184e+00 -3.356226634e+00 -3.640096585e+00 2.98 -2.741843117e+00 -3.313826358e+00 -3.600738002e+00 3.00 -2.693381744e+00 -3.270666448e+00 -3.560143055e+00 3.02 -2.645202107e+00 -3.226863667e+00 -3.518459751e+00 3.04 -2.597352126e+00 -3.182526094e+00 -3.475825704e+00 3.06 -2.549874988e+00 -3.137753685e+00 -3.432368775e+00 3.08 -2.502809503e+00 -3.092638806e+00 -3.388207679e+00 3.10 -2.456190431e+00 -3.047266724e+00 -3.343452553e+00 3.12 -2.410048797e+00 -3.001716079e+00 -3.298205492e+00 3.14 -2.364412174e+00 -2.956059318e+00 -3.252561059e+00 3.16 -2.319304952e+00 -2.910363104e+00 -3.206606753e+00 3.18 -2.274748584e+00 -2.864688708e+00 -3.160423462e+00 3.20 -2.230761818e+00 -2.819092360e+00 -3.114085884e+00 3.22 -2.187360914e+00 -2.773625596e+00 -3.067662920e+00 3.24 -2.144559839e+00 -2.728335572e+00 -3.021218051e+00 3.26 -2.102370454e+00 -2.683265359e+00 -2.974809684e+00 3.28 -2.060802686e+00 -2.638454228e+00 -2.928491485e+00 3.30 -2.019864684e+00 -2.593937904e+00 -2.882312690e+00 3.32 -1.979562973e+00 -2.549748817e+00 -2.836318390e+00 3.34 -1.939902584e+00 -2.505916327e+00 -2.790567848e+00 3.36 -1.900887187e+00 -2.462466940e+00 -2.745443069e+00 3.38 -1.862519202e+00 -2.419424508e+00 -2.701654400e+00 3.40 -1.824799915e+00 -2.376810419e+00 -2.657653745e+00 3.42 -1.787729573e+00 -2.334643770e+00 -2.613046861e+00 3.44 -1.751307481e+00 -2.292941535e+00 -2.568825123e+00 3.46 -1.715532085e+00 -2.251718714e+00 -2.525011345e+00 3.48 -1.680401055e+00 -2.210988481e+00 -2.481625975e+00 3.50 -1.645911356e+00 -2.170762318e+00 -2.438687267e+00 3.52 -1.612059317e+00 -2.131050139e+00 -2.396211431e+00 3.54 -1.578840696e+00 -2.091860406e+00 -2.354212778e+00 3.56 -1.546250732e+00 -2.053200245e+00 -2.312703860e+00 3.58 -1.514284204e+00 -2.015075539e+00 -2.271695592e+00 3.60 -1.482935478e+00 -1.977491033e+00 -2.231197374e+00 3.62 -1.452198552e+00 -1.940450415e+00 -2.191217202e+00 3.64 -1.422067097e+00 -1.903956405e+00 -2.151761772e+00 3.66 -1.392534499e+00 -1.868010830e+00 -2.112836580e+00 3.68 -1.363593889e+00 -1.832614695e+00 -2.074446009e+00 3.70 -1.335238177e+00 -1.797768253e+00 -2.036593419e+00 3.72 -1.307460084e+00 -1.763471068e+00 -1.999281226e+00 3.74 -1.280252167e+00 -1.729722068e+00 -1.962510972e+00 3.76 -1.253606844e+00 -1.696519608e+00 -1.926283401e+00 3.78 -1.227516416e+00 -1.663861512e+00 -1.890598523e+00 3.80 -1.201973090e+00 -1.631745127e+00 -1.855455671e+00 3.82 -1.176968996e+00 -1.600167360e+00 -1.820853560e+00 3.84 -1.152496140e+00 -1.569124725e+00 -1.786790341e+00 3.86 -1.128157267e+00 -1.538613377e+00 -1.753263650e+00 3.88 -1.101566997e+00 -1.508629148e+00 -1.720270651e+00 3.90 -1.087969392e+00 -1.479167579e+00 -1.687808084e+00 3.92 -1.106145809e+00 -1.450223950e+00 -1.655872298e+00 3.94 -1.087749867e+00 -1.421793310e+00 -1.624459296e+00 3.96 -1.069677356e+00 -1.393870499e+00 -1.593564763e+00 3.98 -1.051920489e+00 -1.366450175e+00 -1.563184100e+00 4.00 -1.034471617e+00 -1.339526837e+00 -1.533312455e+00 4.02 -1.017323236e+00 -1.313094839e+00 -1.503944749e+00 4.04 -1.000467996e+00 -1.287148418e+00 -1.475075703e+00 4.06 -9.838986998e-01 -1.261681705e+00 -1.446699860e+00 4.08 -9.676083170e-01 -1.236687776e+00 -1.418811609e+00 4.10 -9.515899823e-01 -1.212064448e+00 -1.391405204e+00 4.12 -9.358370025e-01 -1.186504053e+00 -1.364474781e+00 4.14 -9.203428598e-01 -1.151925877e+00 -1.338014381e+00 4.16 -9.051012150e-01 -1.114243131e+00 -1.312017959e+00 4.18 -8.901059101e-01 -1.092497534e+00 -1.286479405e+00 4.20 -8.753509713e-01 -1.071182262e+00 -1.261392553e+00 4.22 -8.603366209e-01 -1.050290858e+00 -1.236751195e+00 4.24 -8.339892160e-01 -1.029816882e+00 -1.212549096e+00 4.26 -7.486489481e-01 -1.009753917e+00 -1.188779999e+00 4.28 -4.841650099e-01 -9.900955743e-01 -1.165437636e+00 4.30 -3.355706423e-01 -9.708354974e-01 -1.142515742e+00 4.32 -3.287894748e-01 -9.519673684e-01 -1.120008056e+00 4.34 -3.221438204e-01 -9.334849106e-01 -1.097908333e+00 4.36 -3.156310315e-01 -9.153818926e-01 -1.076210349e+00 4.38 -3.092485043e-01 -8.976521313e-01 -1.054907908e+00 4.40 -3.029936796e-01 -8.802894947e-01 -1.033994847e+00 4.42 -2.968640417e-01 -8.632879044e-01 -1.013465039e+00 4.44 -2.908571191e-01 -8.466413377e-01 -9.933124043e-01 4.46 -2.849704839e-01 -8.303438291e-01 -9.735309058e-01 4.48 -2.792017516e-01 -8.143894724e-01 -9.541145587e-01 4.50 -2.735485808e-01 -7.987724213e-01 -9.350574316e-01 4.52 -2.680086729e-01 -7.834868911e-01 -9.163536499e-01 4.54 -2.625797718e-01 -7.685271586e-01 -8.979973981e-01 4.56 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