# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Zhou-X-W-Doty-F-P-Yang-P--Li-Na-K-Rb-Cs-F-Cl-Br-I # implementation = 2011--Zhou-X-W--Li-Na-K-Rb-Cs-F-Cl-Br-I--LAMMPS--ipr1 # composition = FId3 # 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 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 nan nan nan 1.16 1.443042373e+03 nan nan 1.18 1.356586160e+03 nan nan 1.20 1.276108404e+03 nan nan 1.22 1.201126435e+03 nan nan 1.24 1.131207000e+03 nan nan 1.26 1.065958385e+03 nan nan 1.28 1.005016155e+03 1.384597608e+03 nan 1.30 9.480504289e+02 1.308800740e+03 nan 1.32 8.947568315e+02 1.237794022e+03 1.373751399e+03 1.34 8.448564340e+02 1.171219345e+03 1.300756248e+03 1.36 7.980949538e+02 1.108753929e+03 1.232247690e+03 1.38 7.542393217e+02 1.050104919e+03 1.167903576e+03 1.40 7.130774845e+02 9.949957177e+02 1.107422531e+03 1.42 6.744156970e+02 9.431753756e+02 1.050531703e+03 1.44 6.380817222e+02 8.944182458e+02 9.969812231e+02 1.46 6.039125318e+02 8.485121364e+02 9.465387076e+02 1.48 5.717617954e+02 8.052570816e+02 8.989867472e+02 1.50 5.414955772e+02 7.644757180e+02 8.541336716e+02 1.52 5.129872337e+02 7.259992269e+02 8.117978613e+02 1.54 4.861217614e+02 6.896821011e+02 7.718098811e+02 1.56 4.607958606e+02 6.553823507e+02 7.340203764e+02 1.58 4.369085561e+02 6.229748184e+02 6.982899215e+02 1.60 4.143636540e+02 5.923406910e+02 6.644908631e+02 1.62 3.930761018e+02 5.633687374e+02 6.325016755e+02 1.64 3.729680979e+02 5.359570090e+02 6.022134380e+02 1.66 3.539636939e+02 5.100103874e+02 5.735245753e+02 1.68 3.359943766e+02 4.854403684e+02 5.463411567e+02 1.70 3.189969078e+02 4.621645525e+02 5.205704691e+02 1.72 3.029104004e+02 4.401032014e+02 4.961334761e+02 1.74 2.876806906e+02 4.191859899e+02 4.729481279e+02 1.76 2.732567633e+02 3.993429170e+02 4.509450779e+02 1.78 2.595916163e+02 3.805089565e+02 4.300561288e+02 1.80 2.466417412e+02 3.626262852e+02 4.102158030e+02 1.82 2.343674692e+02 3.456415029e+02 3.913662577e+02 1.84 2.227302154e+02 3.295024445e+02 3.734507898e+02 1.86 2.116955696e+02 3.141610613e+02 3.564154856e+02 1.88 2.012300450e+02 2.995736656e+02 3.402132959e+02 1.90 1.913054170e+02 2.856991545e+02 3.247988697e+02 1.92 1.818923343e+02 2.724990603e+02 3.101291412e+02 1.94 1.729631115e+02 2.599369018e+02 2.961656948e+02 1.96 1.644915644e+02 2.479805315e+02 2.828704775e+02 1.98 1.564528325e+02 2.366003074e+02 2.702078321e+02 2.00 1.488216815e+02 2.257681949e+02 2.581442754e+02 2.02 1.415762272e+02 2.154554021e+02 2.466478371e+02 2.04 1.346968327e+02 2.056368378e+02 2.356878343e+02 2.06 1.281627873e+02 1.962879303e+02 2.252373123e+02 2.08 1.219547960e+02 1.873847683e+02 2.152717033e+02 2.10 1.160543611e+02 1.789045435e+02 2.057658400e+02 2.12 1.104439935e+02 1.708251140e+02 1.966957281e+02 2.14 1.051071971e+02 1.631250972e+02 1.880389062e+02 2.16 1.000293973e+02 1.557846100e+02 1.797759470e+02 2.18 9.519558339e+01 1.487863714e+02 1.718872311e+02 2.20 9.059356498e+01 1.421126029e+02 1.643543175e+02 2.22 8.621095803e+01 1.357460912e+02 1.571593269e+02 2.24 8.203653408e+01 1.296697125e+02 1.502852473e+02 2.26 7.805955030e+01 1.238689875e+02 1.437183650e+02 2.28 7.427001443e+01 1.183304816e+02 1.374439833e+02 2.30 7.065861168e+01 1.130408727e+02 1.314480368e+02 2.32 6.721663784e+01 1.079876272e+02 1.257169315e+02 2.34 6.393593867e+01 1.031590400e+02 1.202374244e+02 2.36 6.080885564e+01 9.854416227e+01 1.149987978e+02 2.38 5.782793040e+01 9.413273291e+01 1.099894911e+02 2.40 5.498574133e+01 8.991511622e+01 1.051985551e+02 2.42 5.227713281e+01 8.588224649e+01 1.006156218e+02 2.44 4.969586061e+01 8.202558011e+01 9.623087935e+01 2.46 4.723556147e+01 7.833608289e+01 9.203390893e+01 2.48 4.489096852e+01 7.480739927e+01 8.801734436e+01 2.50 4.265622726e+01 7.143232179e+01 8.417298949e+01 2.52 4.052732581e+01 6.820395712e+01 8.049290815e+01 2.54 3.849928186e+01 6.511580496e+01 7.696822325e+01 2.56 3.656735656e+01 6.216173010e+01 7.359381330e+01 2.58 3.472703576e+01 5.933593597e+01 7.036292662e+01 2.60 3.297370081e+01 5.663166345e+01 6.726904815e+01 2.62 3.130342388e+01 5.404478314e+01 6.430626909e+01 2.64 2.971259132e+01 5.157109263e+01 6.146906998e+01 2.66 2.819742144e+01 4.920535251e+01 5.875205323e+01 2.68 2.675410129e+01 4.694321778e+01 5.615009867e+01 2.70 2.537900901e+01 4.478067567e+01 5.365833959e+01 2.72 2.406956983e+01 4.271351638e+01 5.127214230e+01 2.74 2.282265300e+01 4.073772080e+01 4.898708886e+01 2.76 2.163530468e+01 3.884944020e+01 4.679896247e+01 2.78 2.050473768e+01 3.704497959e+01 4.470286322e+01 2.80 1.942832114e+01 3.532078443e+01 4.269555531e+01 2.82 1.840357016e+01 3.367343026e+01 4.077400588e+01 2.84 1.742813532e+01 3.209949243e+01 3.893458431e+01 2.86 1.649979223e+01 3.059537599e+01 3.717383696e+01 2.88 1.561643112e+01 2.915875270e+01 3.548847398e+01 2.90 1.477604657e+01 2.778660067e+01 3.387535699e+01 2.92 1.397637100e+01 2.647566945e+01 3.233148765e+01 2.94 1.321575039e+01 2.522329459e+01 3.085399699e+01 2.96 1.249278122e+01 2.402720701e+01 2.944013569e+01 2.98 1.180574251e+01 2.288478504e+01 2.808726516e+01 3.00 1.115298207e+01 2.179352096e+01 2.679208981e+01 3.02 1.053284733e+01 2.075101590e+01 2.555282459e+01 3.04 9.943863780e+00 1.975497535e+01 2.436745526e+01 3.06 9.384561719e+00 1.880320516e+01 2.323369479e+01 3.08 8.853497795e+00 1.789360821e+01 2.214931008e+01 3.10 8.349272857e+00 1.702418149e+01 2.111215777e+01 3.12 7.870530417e+00 1.619301376e+01 2.012018003e+01 3.14 7.415683303e+00 1.539828352e+01 1.917140120e+01 3.16 6.983766128e+00 1.463825733e+01 1.826392517e+01 3.18 6.573592285e+00 1.391118193e+01 1.739593320e+01 3.20 6.183959315e+00 1.321550222e+01 1.656568215e+01 3.22 5.813715412e+00 1.254990197e+01 1.577150281e+01 3.24 5.461760608e+00 1.191297020e+01 1.501179816e+01 3.26 5.127047999e+00 1.130337929e+01 1.428504155e+01 3.28 4.808512694e+00 1.071988225e+01 1.358963026e+01 3.30 4.505074501e+00 1.016130973e+01 1.292388664e+01 3.32 4.216149201e+00 9.626566632e+00 1.228707683e+01 3.34 3.940891793e+00 9.114560313e+00 1.167789396e+01 3.36 3.678516774e+00 8.624294826e+00 1.109509619e+01 3.38 3.428296792e+00 8.155024556e+00 1.053750231e+01 3.40 3.189560859e+00 7.705900617e+00 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2.134529181e+00 3.261686013e+00 3.80 1.625769445e-01 1.959616209e+00 3.037518964e+00 3.82 7.722145570e-02 1.793206386e+00 2.822895080e+00 3.84 -3.317531771e-03 1.634473655e+00 2.617458932e+00 3.86 -7.922028526e-02 1.483395054e+00 2.420590251e+00 3.88 -1.506631097e-01 1.339730670e+00 2.232112641e+00 3.90 -2.178183999e-01 1.203093560e+00 2.051987606e+00 3.92 -2.809891279e-01 1.073120057e+00 1.879919883e+00 3.94 -3.405656178e-01 9.494694841e-01 1.715631127e+00 3.96 -3.962262766e-01 8.318236850e-01 1.558857495e+00 3.98 -4.481503357e-01 7.198863799e-01 1.409347404e+00 4.00 -4.965084076e-01 6.133823513e-01 1.266859492e+00 4.02 -5.414627925e-01 5.120564796e-01 1.131160797e+00 4.04 -5.831677754e-01 4.156726482e-01 1.002025177e+00 4.06 -6.217699153e-01 3.240125429e-01 8.792319618e-01 4.08 -6.574083278e-01 2.368743711e-01 7.625648565e-01 4.10 -6.902149630e-01 1.540715284e-01 6.518110690e-01 4.12 -7.203148802e-01 7.543123978e-02 5.467606627e-01 4.14 -7.478265207e-01 7.932019631e-04 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