# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1987--Ackland-G-J-Thetford-R--Mo # implementation = 1987--Ackland-G-J--Mo--LAMMPS--ipr3 # composition = Mo # 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 A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan 2.450974780e+03 nan 0.60 nan nan nan nan nan nan nan nan 2.198537365e+03 nan 0.62 nan nan nan nan nan nan nan nan 1.977566058e+03 nan 0.64 nan nan nan nan nan 1.532796701e+03 nan nan 1.783401946e+03 nan 0.66 nan nan nan nan nan 1.385053999e+03 nan nan 1.612276481e+03 nan 0.68 nan nan nan nan nan 1.254232071e+03 nan nan 1.461005076e+03 nan 0.70 nan nan nan nan nan 1.137556723e+03 nan nan 1.326809673e+03 nan 0.72 nan 1.661574949e+03 nan 2.416956933e+03 2.417152247e+03 1.033463376e+03 1.688514139e+03 nan 1.207458831e+03 1.663009058e+03 0.74 nan 1.518187550e+03 nan 2.212935243e+03 2.213093540e+03 9.410289139e+02 1.542672561e+03 nan 1.101051841e+03 1.519446685e+03 0.76 nan 1.389565685e+03 nan 2.030131175e+03 2.030165120e+03 8.588951509e+02 1.411885806e+03 nan 1.005688238e+03 1.390886261e+03 0.78 nan 1.273849834e+03 nan 1.865934032e+03 1.865850428e+03 7.852260552e+02 1.294413559e+03 nan 9.197731293e+02 1.275625298e+03 0.80 nan 1.169670251e+03 nan 1.717865384e+03 1.717659171e+03 7.189663058e+02 1.188870322e+03 1.610930816e+03 8.422921247e+02 1.171909896e+03 0.82 1.584154019e+03 1.075474718e+03 1.442632344e+03 1.583938812e+03 1.583768596e+03 6.590407390e+02 1.093813622e+03 1.484502530e+03 7.723742447e+02 1.077829814e+03 0.84 1.462607185e+03 9.902947060e+02 1.330963674e+03 1.462636900e+03 1.462607009e+03 6.046469304e+02 1.007571444e+03 1.369911301e+03 7.090582090e+02 9.923732223e+02 0.86 1.352149017e+03 9.127991206e+02 1.229664622e+03 1.352414657e+03 1.352524156e+03 5.553117209e+02 9.290811932e+02 1.265848843e+03 6.515761095e+02 9.148677188e+02 0.88 1.251450736e+03 8.423477705e+02 1.137403386e+03 1.251921617e+03 1.252124336e+03 5.105514496e+02 8.577080654e+02 1.171253764e+03 5.993803486e+02 8.447110005e+02 0.90 1.159955129e+03 7.783706515e+02 1.053295023e+03 1.160297016e+03 1.160496347e+03 4.699105582e+02 7.926536102e+02 1.085251747e+03 5.518579060e+02 7.807201642e+02 0.92 1.076713287e+03 7.198790607e+02 9.764493572e+02 1.076669131e+03 1.076792948e+03 4.327483686e+02 7.332870716e+02 1.006774115e+03 5.086278000e+02 7.222037594e+02 0.94 1.000423177e+03 6.663242912e+02 9.064237480e+02 1.000177451e+03 1.000198382e+03 3.987416768e+02 6.790393928e+02 9.348873693e+02 4.692178311e+02 6.685036373e+02 0.96 9.303698642e+02 6.173651544e+02 8.426873098e+02 9.301135293e+02 9.300503840e+02 3.677287087e+02 6.293414828e+02 8.689567230e+02 4.333020445e+02 6.191999129e+02 0.98 8.659900083e+02 5.725384769e+02 7.840789694e+02 8.657668446e+02 8.656184421e+02 3.392925453e+02 5.835065033e+02 8.084031627e+02 4.004402672e+02 5.739834207e+02 1.00 8.067353895e+02 5.311921727e+02 7.300166658e+02 8.065664970e+02 8.063489325e+02 3.131818384e+02 5.412301623e+02 7.526250896e+02 3.703306656e+02 5.324959150e+02 1.02 7.520924726e+02 4.930057197e+02 6.800503733e+02 7.520533619e+02 7.518247145e+02 2.891228724e+02 5.023058043e+02 7.012426473e+02 3.427282981e+02 4.943840538e+02 1.04 7.017409441e+02 4.577615572e+02 6.338054955e+02 7.017850227e+02 7.016304813e+02 2.669178755e+02 4.664827445e+02 6.538918514e+02 3.172882183e+02 4.594601573e+02 1.06 6.551588412e+02 4.253060465e+02 5.910081532e+02 6.553028294e+02 6.553019062e+02 2.464545763e+02 4.335743957e+02 6.101032561e+02 2.937635857e+02 4.273043559e+02 1.08 6.121173438e+02 3.953614836e+02 5.514573495e+02 6.122453462e+02 6.123524148e+02 2.276553892e+02 4.032707384e+02 5.695734506e+02 2.719891536e+02 3.977424559e+02 1.10 5.723182974e+02 3.676193409e+02 5.148926981e+02 5.723430214e+02 5.725053584e+02 2.104033539e+02 3.753724903e+02 5.319693774e+02 2.518254257e+02 3.705223874e+02 1.12 5.352249848e+02 3.418601260e+02 4.808929091e+02 5.352398352e+02 5.354434783e+02 1.945127537e+02 3.496573026e+02 4.969385229e+02 2.331123141e+02 3.452577068e+02 1.14 5.006189498e+02 3.179885513e+02 4.493010162e+02 5.007253601e+02 5.009455854e+02 1.799420428e+02 3.259132976e+02 4.643284905e+02 2.157268782e+02 3.218148517e+02 1.16 4.683683041e+02 2.959462192e+02 4.199839961e+02 4.685444935e+02 4.687450278e+02 1.666500391e+02 3.038843984e+02 4.340411834e+02 1.995385610e+02 3.000505767e+02 1.18 4.383421485e+02 2.755661856e+02 3.926032772e+02 4.385463861e+02 4.387056228e+02 1.543683909e+02 2.833657426e+02 4.059792088e+02 1.844939786e+02 2.797377684e+02 1.20 4.104405980e+02 2.567487478e+02 3.670090676e+02 4.106378007e+02 4.107333944e+02 1.429888002e+02 2.642381524e+02 3.800179688e+02 1.705572908e+02 2.607281427e+02 1.22 3.846308698e+02 2.393017728e+02 3.431516454e+02 3.847399266e+02 3.847434335e+02 1.324513401e+02 2.463855905e+02 3.559625104e+02 1.576767880e+02 2.429132426e+02 1.24 3.608092475e+02 2.229971355e+02 3.210111601e+02 3.607389348e+02 3.606358256e+02 1.227182070e+02 2.297099269e+02 3.335599379e+02 1.457312945e+02 2.261974906e+02 1.26 3.385333853e+02 2.077446094e+02 3.005571999e+02 3.383391439e+02 3.381720748e+02 1.137426113e+02 2.141277571e+02 3.125963425e+02 1.346294224e+02 2.105174499e+02 1.28 3.176561911e+02 1.934605145e+02 2.816429690e+02 3.173987055e+02 3.171976570e+02 1.054943935e+02 1.995563543e+02 2.929719749e+02 1.242971285e+02 1.958311102e+02 1.30 2.980751402e+02 1.800679848e+02 2.641035109e+02 2.978091777e+02 2.975847164e+02 9.794243878e+01 1.858893279e+02 2.746026833e+02 1.146899296e+02 1.821011865e+02 1.32 2.797145862e+02 1.675019496e+02 2.477002469e+02 2.794632356e+02 2.792321486e+02 9.096615897e+01 1.730180100e+02 2.573897790e+02 1.057891050e+02 1.693214015e+02 1.34 2.625000585e+02 1.557097054e+02 2.323067453e+02 2.622808997e+02 2.620710243e+02 8.450182236e+01 1.608852558e+02 2.412313149e+02 9.757559203e+01 1.574562059e+02 1.36 2.463073996e+02 1.446627155e+02 2.178414668e+02 2.461650144e+02 2.460196261e+02 7.850882858e+01 1.494579260e+02 2.260694379e+02 8.998662456e+01 1.463224275e+02 1.38 2.310698179e+02 1.343414245e+02 2.042340507e+02 2.310412824e+02 2.309961217e+02 7.295285137e+01 1.387042519e+02 2.118579563e+02 8.295533309e+01 1.358755379e+02 1.40 2.167596004e+02 1.247208106e+02 1.914427871e+02 2.168304482e+02 2.168782981e+02 6.781457432e+01 1.286066333e+02 1.985297299e+02 7.645182577e+01 1.261120804e+02 1.42 2.033413014e+02 1.157494588e+02 1.794060909e+02 2.034842453e+02 2.036070132e+02 6.306011071e+01 1.191559023e+02 1.860155668e+02 7.041736215e+01 1.170215935e+02 1.44 1.907858286e+02 1.073527739e+02 1.680312331e+02 1.909667043e+02 1.911365783e+02 5.862347398e+01 1.103060468e+02 1.742807056e+02 6.482265730e+01 1.085983499e+02 1.46 1.790661358e+02 9.946024135e+01 1.572607810e+02 1.792494071e+02 1.794297463e+02 5.447042493e+01 1.020404241e+02 1.632769955e+02 5.964390019e+01 1.008362493e+02 1.48 1.680274819e+02 9.201672933e+01 1.470604989e+02 1.682016994e+02 1.683795578e+02 5.058637241e+01 9.436520910e+01 1.528866022e+02 5.485223507e+01 9.360228505e+01 1.50 1.575843246e+02 8.498332971e+01 1.373940394e+02 1.577464158e+02 1.579172241e+02 4.695106428e+01 8.724601983e+01 1.430543031e+02 5.039102087e+01 8.682791094e+01 1.52 1.476946423e+02 7.833600744e+01 1.282259072e+02 1.478408297e+02 1.479993116e+02 4.354155173e+01 8.062193559e+01 1.337525377e+02 4.622891934e+01 8.048410374e+01 1.54 1.383216000e+02 7.205941688e+01 1.195270812e+02 1.384500129e+02 1.385903337e+02 4.033781106e+01 7.446794581e+01 1.249574053e+02 4.234450196e+01 7.454443511e+01 1.56 1.294345522e+02 6.614441878e+01 1.112750158e+02 1.295447708e+02 1.296605607e+02 3.732274503e+01 6.876178567e+01 1.166554332e+02 3.872150839e+01 6.898506852e+01 1.58 1.210315031e+02 6.057669102e+01 1.034536407e+02 1.211136698e+02 1.211952400e+02 3.448218265e+01 6.342894395e+01 1.088367232e+02 3.534522343e+01 6.378475911e+01 1.60 1.131016086e+02 5.534480810e+01 9.605421884e+01 1.131420543e+02 1.131785140e+02 3.180487946e+01 5.843427225e+01 1.014512009e+02 3.219808449e+01 5.892485373e+01 1.62 1.056287667e+02 5.044141327e+01 8.908588340e+01 1.056169241e+02 1.056004858e+02 2.928251729e+01 5.375991713e+01 9.446032306e+01 2.926714317e+01 5.438928832e+01 1.64 9.857981734e+01 4.585210270e+01 8.254164612e+01 9.851198807e+01 9.844161008e+01 2.690995062e+01 4.939068236e+01 8.783887933e+01 2.653874657e+01 5.015347196e+01 1.66 9.188496038e+01 4.154563224e+01 7.639977991e+01 9.177658726e+01 9.166758097e+01 2.469029003e+01 4.531419816e+01 8.155298277e+01 2.400065355e+01 4.617449365e+01 1.68 8.552107304e+01 3.751557675e+01 7.066614854e+01 8.539487860e+01 8.526868379e+01 2.262629862e+01 4.151605886e+01 7.558898632e+01 2.164255355e+01 4.243277760e+01 1.70 7.947286202e+01 3.375960332e+01 6.534711134e+01 7.935683436e+01 7.924080671e+01 2.072066217e+01 3.797666450e+01 6.993364614e+01 1.944755201e+01 3.891917493e+01 1.72 7.372790084e+01 3.027832962e+01 6.036334069e+01 7.363335497e+01 7.353880910e+01 1.893365886e+01 3.466476509e+01 6.457667907e+01 1.740041887e+01 3.562578197e+01 1.74 6.827417814e+01 2.707462370e+01 5.565139578e+01 6.820041700e+01 6.812665586e+01 1.723406272e+01 3.156371231e+01 5.951099838e+01 1.549208886e+01 3.253858589e+01 1.76 6.310262308e+01 2.411112013e+01 5.119722710e+01 6.305086440e+01 6.299910572e+01 1.561969830e+01 2.865861473e+01 5.473410428e+01 1.371126478e+01 2.964504036e+01 1.78 5.820710681e+01 2.136150702e+01 4.698789155e+01 5.817785084e+01 5.814859488e+01 1.408703158e+01 2.593553638e+01 5.024853487e+01 1.205205329e+01 2.693407004e+01 1.80 5.358444234e+01 1.882223887e+01 4.301309293e+01 5.357690579e+01 5.356936924e+01 1.263300365e+01 2.338200214e+01 4.605695749e+01 1.050997645e+01 2.439607050e+01 1.82 4.923438472e+01 1.648228330e+01 3.926429724e+01 4.924626855e+01 4.925815239e+01 1.125630749e+01 2.098937144e+01 4.214901929e+01 9.077179101e+00 2.202290839e+01 1.84 4.515962090e+01 1.431765893e+01 3.573222309e+01 4.518688066e+01 4.521414041e+01 9.954651223e+00 1.874720181e+01 3.850247297e+01 7.740105985e+00 1.980791125e+01 1.86 4.137210327e+01 1.232121272e+01 3.240878684e+01 4.140713599e+01 4.144216870e+01 8.726751454e+00 1.664537909e+01 3.512357052e+01 6.493808155e+00 1.775220110e+01 1.88 3.788503097e+01 1.048649723e+01 2.928711905e+01 3.791662969e+01 3.794822841e+01 7.572349253e+00 1.467529812e+01 3.196812531e+01 5.334571080e+00 1.585794043e+01 1.90 3.463114567e+01 8.799525655e+00 2.636156434e+01 3.465550523e+01 3.467986479e+01 6.492208722e+00 1.283202774e+01 2.899938083e+01 4.260054464e+00 1.409662644e+01 1.92 3.156477070e+01 7.248357434e+00 2.362768151e+01 3.158292693e+01 3.160108316e+01 5.488115680e+00 1.111165053e+01 2.620775122e+01 3.267127908e+00 1.244743347e+01 1.94 2.867640834e+01 5.824316463e+00 2.108224352e+01 2.868985124e+01 2.870329414e+01 4.562876271e+00 9.508896018e+00 2.358402837e+01 2.353601678e+00 1.090208583e+01 1.96 2.595693251e+01 4.519007139e+00 1.872323742e+01 2.596769535e+01 2.597845818e+01 3.720315610e+00 8.018919611e+00 2.111946119e+01 1.518234371e+00 9.452922022e+00 1.98 2.339763754e+01 3.324318437e+00 1.654986240e+01 2.340837968e+01 2.341912181e+01 2.965274532e+00 6.639439099e+00 1.880575583e+01 7.607321634e-01 8.092911018e+00 2.00 2.099023795e+01 2.233365108e+00 1.455638857e+01 2.100381595e+01 2.101739394e+01 2.297467261e+00 5.364043579e+00 1.663514955e+01 8.061438990e-02 6.815652182e+00 2.02 1.872686854e+01 1.241790347e+00 1.270223103e+01 1.874341341e+01 1.875995827e+01 1.681554581e+00 4.178233635e+00 1.460266135e+01 -5.398979871e-01 5.616815517e+00 2.04 1.660008446e+01 3.422612023e-01 1.097345330e+01 1.661920419e+01 1.663832392e+01 1.108646578e+00 3.079397855e+00 1.270253178e+01 -1.109148151e+00 4.493847636e+00 2.06 1.460290809e+01 -4.726024160e-01 9.362644223e+00 1.462419892e+01 1.464548974e+01 5.761480428e-01 2.063258900e+00 1.092831034e+01 -1.629281150e+00 3.442091544e+00 2.08 1.273186675e+01 -1.208232199e+00 7.864667068e+00 1.275414199e+01 1.277641723e+01 8.148274471e-02 1.125741812e+00 9.275032646e+00 -2.101981606e+00 2.459099323e+00 2.10 1.098273357e+01 -1.870320544e+00 6.473820049e+00 1.100431725e+01 1.102590092e+01 -3.779057067e-01 2.633827596e-01 7.737799956e+00 -2.528485754e+00 1.542521894e+00 2.12 9.349740656e+00 -2.465318797e+00 5.183311766e+00 9.368957814e+00 9.388174972e+00 -8.045521380e-01 -5.266714577e-01 6.311516878e+00 -2.909581770e+00 6.896198236e-01 2.14 7.827544517e+00 -2.999404610e+00 3.986571524e+00 7.842720211e+00 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