# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Zhou-X-W-Ward-D-K-Martin-J-E-et-al--Zn-Cd-Hg-S-Se-Te # implementation = 2013--Zhou-X-W--Zn-Cd-Hg-S-Se-Te--LAMMPS--ipr1 # composition = Hg # 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 nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan 1.898322308e+04 nan nan nan nan 0.70 nan nan nan nan nan 1.607282711e+04 nan nan 2.049378832e+04 nan 0.72 nan nan nan nan nan 1.366791959e+04 nan nan 1.740348240e+04 nan 0.74 nan nan nan nan nan 1.166872851e+04 nan nan 1.485178647e+04 nan 0.76 nan nan nan nan nan 9.999449102e+03 nan nan 1.273434985e+04 nan 0.78 nan 1.880539852e+04 nan nan nan 8.603012680e+03 1.945447759e+04 nan 1.096636145e+04 1.899047647e+04 0.80 nan 1.623165951e+04 nan nan nan 7.436102415e+03 1.678150802e+04 nan 9.480276030e+03 1.639343849e+04 0.82 nan 1.406182395e+04 nan nan nan 6.460420982e+03 1.452714988e+04 nan 8.222490432e+03 1.421208951e+04 0.84 nan 1.222228072e+04 nan nan nan 5.638965251e+03 1.262347250e+04 nan 7.150709441e+03 1.236842403e+04 0.86 nan 1.065561852e+04 1.768877307e+04 nan nan 4.938504617e+03 1.101120606e+04 1.860367793e+04 6.232998210e+03 1.080060013e+04 0.88 1.824326161e+04 9.317302205e+03 1.548201407e+04 1.823037263e+04 1.822307617e+04 4.333933824e+03 9.640269304e+03 1.627304949e+04 5.445972396e+03 9.458329933e+03 0.90 1.600229116e+04 8.170928071e+03 1.358134269e+04 1.599774298e+04 1.599359448e+04 3.808815148e+03 8.467792437e+03 1.426920259e+04 4.771170011e+03 8.301387356e+03 0.92 1.407059208e+04 7.185331119e+03 1.193908682e+04 1.407526104e+04 1.407615672e+04 3.351869766e+03 7.457326279e+03 1.254405943e+04 4.192113834e+03 7.300113215e+03 0.94 1.240389063e+04 6.335098675e+03 1.051958863e+04 1.241511433e+04 1.242052574e+04 2.954417778e+03 6.580458478e+03 1.105842097e+04 3.694015723e+03 6.433464966e+03 0.96 1.096490230e+04 5.599451636e+03 9.293872053e+03 1.097768044e+04 1.098505904e+04 2.609286254e+03 5.816885955e+03 9.777978585e+03 3.264315553e+03 5.684365325e+03 0.98 9.720757941e+03 4.961331272e+03 8.234831599e+03 9.729990197e+03 9.736391661e+03 2.309773113e+03 5.151735136e+03 8.671592324e+03 2.892749866e+03 5.036131800e+03 1.00 8.642856087e+03 4.406621552e+03 7.317789801e+03 8.645114627e+03 8.648448364e+03 2.049428863e+03 4.572264036e+03 7.711729951e+03 2.570646098e+03 4.472614042e+03 1.02 7.705467355e+03 3.922689996e+03 6.521782120e+03 7.700323950e+03 7.699819418e+03 1.822427051e+03 4.066669624e+03 6.874629785e+03 2.290471882e+03 3.980101660e+03 1.04 6.885034520e+03 3.498619680e+03 5.828618588e+03 6.875381635e+03 6.871577924e+03 1.623877712e+03 3.624406978e+03 6.140498679e+03 2.045784566e+03 3.548414606e+03 1.06 6.162363809e+03 3.125858302e+03 5.221702088e+03 6.152515005e+03 6.146794446e+03 1.449792911e+03 3.236396087e+03 5.493871917e+03 1.831067397e+03 3.169935900e+03 1.08 5.523631760e+03 2.797500909e+03 4.686138536e+03 5.516725058e+03 5.510697019e+03 1.296784626e+03 2.895038569e+03 4.922870992e+03 1.641670026e+03 2.838301936e+03 1.10 4.958375336e+03 2.507442383e+03 4.209720158e+03 4.955499009e+03 4.950562406e+03 1.161861302e+03 2.594287175e+03 4.417803800e+03 1.473798222e+03 2.547687497e+03 1.12 4.457705966e+03 2.250493434e+03 3.783999912e+03 4.458504011e+03 4.455647141e+03 1.042574207e+03 2.329439433e+03 3.970405200e+03 1.324388315e+03 2.292559516e+03 1.14 4.013799693e+03 2.022611221e+03 3.403638298e+03 4.017248570e+03 4.016984168e+03 9.370580396e+02 2.096497919e+03 3.573617250e+03 1.190979022e+03 2.067825319e+03 1.16 3.619724235e+03 1.820631319e+03 3.064578662e+03 3.624590170e+03 3.626889039e+03 8.438128954e+02 1.891569630e+03 3.221311264e+03 1.071549955e+03 1.869017462e+03 1.18 3.269352911e+03 1.641714374e+03 2.763040312e+03 3.274420210e+03 3.278682978e+03 7.615273663e+02 1.710831771e+03 2.908006754e+03 9.644547446e+02 1.692298765e+03 1.20 2.957216656e+03 1.483076370e+03 2.495262290e+03 2.961555858e+03 2.966770569e+03 6.889795881e+02 1.550745851e+03 2.628877366e+03 8.684134528e+02 1.534349190e+03 1.22 2.678546898e+03 1.342100679e+03 2.257418088e+03 2.681678992e+03 2.686740587e+03 6.249571419e+02 1.408195073e+03 2.379863082e+03 7.823965871e+02 1.392376925e+03 1.24 2.429276715e+03 1.216532910e+03 2.045775996e+03 2.431166227e+03 2.435207246e+03 5.682715675e+02 1.280518990e+03 2.157587089e+03 7.054857695e+02 1.264091922e+03 1.26 2.206006051e+03 1.104531479e+03 1.856994125e+03 2.206900959e+03 2.209442704e+03 5.178282574e+02 1.165499957e+03 1.959194106e+03 6.368164864e+02 1.147658172e+03 1.28 2.006036705e+03 1.004522491e+03 1.688309635e+03 2.006174246e+03 2.007069614e+03 4.726803340e+02 1.061316544e+03 1.782217520e+03 5.755848593e+02 1.041721843e+03 1.30 1.827170665e+03 9.150314035e+02 1.537458176e+03 1.826600059e+03 1.825928423e+03 4.320296807e+02 9.665289228e+02 1.624380237e+03 5.210551381e+02 9.453198614e+02 1.32 1.667333711e+03 8.346345106e+02 1.402463176e+03 1.665991749e+03 1.663995818e+03 3.952091890e+02 8.800621386e+02 1.483412840e+03 4.725419912e+02 8.576891022e+02 1.34 1.524407315e+03 7.620133379e+02 1.281575681e+03 1.522282395e+03 1.519321058e+03 3.617011167e+02 8.011351472e+02 1.357053981e+03 4.293881667e+02 7.781844337e+02 1.36 1.396255533e+03 6.960354928e+02 1.173279510e+03 1.393472830e+03 1.389968335e+03 3.311457773e+02 7.291512922e+02 1.243175893e+03 3.909539068e+02 7.062679159e+02 1.38 1.280793962e+03 6.358021433e+02 1.076191716e+03 1.277620754e+03 1.274010183e+03 3.032866732e+02 6.635944640e+02 1.139926156e+03 3.566300997e+02 6.414613814e+02 1.40 1.176098976e+03 5.806575494e+02 9.889343614e+02 1.172918089e+03 1.169612300e+03 2.778953755e+02 6.039779474e+02 1.045829283e+03 3.258708698e+02 5.832835519e+02 1.42 1.080565186e+03 5.301629404e+02 9.101166653e+02 1.077808474e+03 1.075148894e+03 2.547404431e+02 5.498349320e+02 9.598019959e+02 2.982197090e+02 5.312225043e+02 1.44 9.930263764e+02 4.840181161e+02 8.384108483e+02 9.910636282e+02 9.892804922e+02 2.335891041e+02 5.007179999e+02 8.810714100e+02 2.733086815e+02 4.847355488e+02 1.46 9.127243744e+02 4.419687373e+02 7.726571121e+02 9.117618427e+02 9.109540223e+02 2.142170698e+02 4.562072742e+02 8.090432133e+02 2.508319031e+02 4.432577496e+02 1.48 8.391253361e+02 4.037551058e+02 7.119518842e+02 8.391838102e+02 8.393326773e+02 1.964214319e+02 4.159255420e+02 7.431897820e+02 2.305171030e+02 4.062173326e+02 1.50 7.717508351e+02 3.691008097e+02 6.556708308e+02 7.727143541e+02 7.737147414e+02 1.800325579e+02 3.795445987e+02 6.830081863e+02 2.121114134e+02 3.730588773e+02 1.52 7.101306024e+02 3.377135117e+02 6.034140036e+02 7.118037236e+02 7.134866451e+02 1.649181161e+02 3.467736576e+02 6.280231059e+02 1.953778303e+02 3.432722531e+02 1.54 6.538100439e+02 3.092889200e+02 5.549166439e+02 6.559565372e+02 6.581044925e+02 1.509745813e+02 3.173365466e+02 5.777895450e+02 1.800999542e+02 3.164191677e+02 1.56 6.023562399e+02 2.835180971e+02 5.099699974e+02 6.047236592e+02 6.070911663e+02 1.381123534e+02 2.909540420e+02 5.318844872e+02 1.660906527e+02 2.921427669e+02 1.58 5.553516273e+02 2.600984929e+02 4.683785258e+02 5.576942018e+02 5.600367771e+02 1.262475947e+02 2.673397845e+02 4.899005729e+02 1.531958835e+02 2.701492219e+02 1.60 5.123817249e+02 2.387479766e+02 4.299538622e+02 5.144881653e+02 5.165946056e+02 1.153028873e+02 2.462046798e+02 4.514524660e+02 1.412908234e+02 2.501729145e+02 1.62 4.730331006e+02 2.192191652e+02 3.945201598e+02 4.747511539e+02 4.764692072e+02 1.052101569e+02 2.272640364e+02 4.161875041e+02 1.302727621e+02 2.319559978e+02 1.64 4.369073136e+02 2.013094471e+02 3.619181376e+02 4.381538977e+02 4.394004817e+02 9.591243121e+01 2.102453347e+02 3.837907747e+02 1.200558676e+02 2.152524111e+02 1.66 4.036428818e+02 1.848625677e+02 3.320039496e+02 4.043985505e+02 4.051542191e+02 8.736290100e+01 1.948945194e+02 3.539857996e+02 1.105678643e+02 1.998422915e+02 1.68 3.729365929e+02 1.697614679e+02 3.046420234e+02 3.732306713e+02 3.735247496e+02 7.952114347e+01 1.809791025e+02 3.265367685e+02 1.017476138e+02 1.855466767e+02 1.70 3.445545888e+02 1.559157754e+02 2.796960287e+02 3.444468476e+02 3.443391064e+02 7.234878441e+01 1.682893732e+02 3.012498104e+02 9.354442722e+01 1.722354803e+02 1.72 3.183243131e+02 1.432489664e+02 2.570236961e+02 3.178883892e+02 3.174524653e+02 6.580721565e+01 1.566413956e+02 2.779648273e+02 8.591777433e+01 1.598223048e+02 1.74 2.941089863e+02 1.316893770e+02 2.364757620e+02 2.934219538e+02 2.927349212e+02 5.985711870e+01 1.458813640e+02 2.565395578e+02 7.883513484e+01 1.482470400e+02 1.76 2.717817436e+02 1.211652847e+02 2.178963365e+02 2.709200101e+02 2.700582765e+02 5.445843804e+01 1.358864390e+02 2.368374364e+02 7.226831292e+01 1.374581190e+02 1.78 2.512146195e+02 1.116032979e+02 2.011238137e+02 2.502525342e+02 2.492904489e+02 4.957045796e+01 1.265610619e+02 2.187254667e+02 6.619027135e+01 1.274047959e+02 1.80 2.322786663e+02 1.029286927e+02 1.859923955e+02 2.312871444e+02 2.302956224e+02 4.515199346e+01 1.178322723e+02 2.020776010e+02 6.057384400e+01 1.180365799e+02 1.82 2.148471191e+02 9.506636078e+01 1.723343784e+02 2.138916252e+02 2.129361313e+02 4.116171326e+01 1.096458105e+02 1.867787588e+02 5.539160129e+01 1.093043146e+02 1.84 1.987994599e+02 8.794205115e+01 1.599833158e+02 1.979372698e+02 1.970750797e+02 3.755861335e+01 1.019612310e+02 1.727274122e+02 5.061598047e+01 1.011616221e+02 1.86 1.840257109e+02 8.148375313e+01 1.487780079e+02 1.833025928e+02 1.825794747e+02 3.430265770e+01 9.474566669e+01 1.598353876e+02 4.621953895e+01 9.356644890e+01 1.88 1.704298009e+02 7.562291651e+01 1.385669817e+02 1.698766086e+02 1.693234163e+02 3.135559056e+01 8.796925174e+01 1.480247171e+02 4.217533195e+01 8.648226892e+01 1.90 1.579304449e+02 7.029509120e+01 1.292127774e+02 1.575605462e+02 1.571906475e+02 2.868189443e+01 8.160390853e+01 1.372232902e+02 3.845738699e+01 7.987835108e+01 1.92 1.464584106e+02 6.543972081e+01 1.205952950e+02 1.462671285e+02 1.460758464e+02 2.624980728e+01 7.562389208e+01 1.273614382e+02 3.504120620e+01 7.372868858e+01 1.94 1.359508904e+02 6.099942738e+01 1.126139836e+02 1.359177909e+02 1.358846913e+02 2.403221834e+01 7.000649852e+01 1.183696774e+02 3.190417830e+01 6.800989465e+01 1.96 1.263459592e+02 5.691981611e+01 1.051892960e+02 1.264397276e+02 1.265334959e+02 2.200715602e+01 6.473243046e+01 1.101772153e+02 2.902575499e+01 6.269919483e+01 1.98 1.175797745e+02 5.315055086e+01 9.826308181e+01 1.177642658e+02 1.179487571e+02 2.015754494e+01 5.978555408e+01 1.027115622e+02 2.638729496e+01 5.777346068e+01 2.00 1.095860937e+02 4.964717599e+01 9.179599443e+01 1.098258385e+02 1.100655833e+02 1.847008107e+01 5.515200605e+01 9.589914261e+01 2.397164380e+01 5.320907079e+01 2.02 1.022965401e+02 4.637259359e+01 8.576116552e+01 1.025604709e+02 1.028244016e+02 1.693354000e+01 5.081902546e+01 8.966648410e+01 2.176271132e+01 4.898202326e+01 2.04 9.564115986e+01 4.329744396e+01 8.013691466e+01 9.590428362e+01 9.616740738e+01 1.553731614e+01 4.677410429e+01 8.394186904e+01 1.974528269e+01 4.506814911e+01 2.06 8.954933975e+01 4.039916384e+01 7.490221215e+01 8.979307748e+01 9.003681520e+01 1.427080908e+01 4.300466495e+01 7.865740333e+01 1.790503028e+01 4.144343853e+01 2.08 8.395119119e+01 3.766029900e+01 7.003534660e+01 8.416320838e+01 8.437522558e+01 1.312341699e+01 3.949799128e+01 7.375130454e+01 1.622857396e+01 3.808448699e+01 2.10 7.877946509e+01 3.506712176e+01 6.551376983e+01 7.895325302e+01 7.912704096e+01 1.208461360e+01 3.624120638e+01 6.917002126e+01 1.470349664e+01 3.496904920e+01 2.12 7.397195851e+01 3.260890116e+01 6.131408508e+01 7.410613520e+01 7.424031189e+01 1.114399773e+01 3.322127482e+01 6.486967874e+01 1.331823422e+01 3.207665765e+01 2.14 6.947417298e+01 3.027727161e+01 5.741210525e+01 6.957147141e+01 6.966876984e+01 1.029135369e+01 3.042503571e+01 6.081646006e+01 1.206183681e+01 2.938921694e+01 2.16 6.524170532e+01 2.806549463e+01 5.378301179e+01 6.530768223e+01 6.537365913e+01 9.516734053e+00 2.783927101e+01 5.698588999e+01 1.092371585e+01 2.689143480e+01 2.18 6.124159578e+01 2.596793110e+01 5.040164126e+01 6.128319433e+01 6.132479289e+01 8.810571159e+00 2.545081174e+01 5.336126240e+01 9.893527424e+00 2.457092225e+01 2.20 5.745186284e+01 2.397980078e+01 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