# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Chen-Y-Liao-X-Gao-N-et-al--W-Mo # implementation = 2020--Chen-Y--W-Mo--LAMMPS--ipr1 # composition = Mo3W # 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 2022-12-14 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 2.758515006e+03 nan nan 0.88 2.484307372e+03 nan nan 0.90 2.231677960e+03 nan nan 0.92 1.984030438e+03 nan nan 0.94 1.767388964e+03 nan nan 0.96 1.577621193e+03 2.457289805e+03 2.834393687e+03 0.98 1.411283016e+03 2.235168516e+03 2.595904617e+03 1.00 1.265073094e+03 2.036382071e+03 2.381249846e+03 1.02 1.130800980e+03 1.822679780e+03 2.133964638e+03 1.04 1.012276726e+03 1.634178497e+03 1.914989706e+03 1.06 9.074640936e+02 1.468447520e+03 1.720782377e+03 1.08 8.149204454e+02 1.321750682e+03 1.548178059e+03 1.10 7.330023963e+02 1.191416905e+03 1.394554131e+03 1.12 6.604346545e+02 1.075420098e+03 1.257728172e+03 1.14 5.961363401e+02 9.720538291e+02 1.135853407e+03 1.16 5.390115821e+02 8.798579501e+02 1.027574608e+03 1.18 4.881380338e+02 7.975319746e+02 9.316681770e+02 1.20 4.425727947e+02 7.238978934e+02 8.459063168e+02 1.22 4.015847771e+02 6.579008055e+02 7.690111060e+02 1.24 3.646032917e+02 5.989497387e+02 6.999604311e+02 1.26 3.311728753e+02 5.459136655e+02 6.378791128e+02 1.28 3.009024069e+02 4.980301641e+02 5.819903328e+02 1.30 2.734656064e+02 4.547849368e+02 5.316231806e+02 1.32 2.486214428e+02 4.157213488e+02 4.861979671e+02 1.34 2.261475863e+02 3.804070981e+02 4.451506654e+02 1.36 2.058210246e+02 3.484623200e+02 4.079489668e+02 1.38 1.874050139e+02 3.195306373e+02 3.741077196e+02 1.40 1.706929824e+02 2.932133816e+02 3.432187054e+02 1.42 1.555006448e+02 2.691355187e+02 3.150287391e+02 1.44 1.416575458e+02 2.469991435e+02 2.893567287e+02 1.46 1.290068158e+02 2.265681456e+02 2.658546669e+02 1.48 1.174090735e+02 2.076421079e+02 2.443660450e+02 1.50 1.067444799e+02 1.901079082e+02 2.247576447e+02 1.52 9.691561431e+01 1.739066159e+02 2.068928611e+02 1.54 8.784705406e+01 1.589867152e+02 1.905671539e+02 1.56 7.947237717e+01 1.452926190e+02 1.755789997e+02 1.58 7.173713764e+01 1.327620182e+02 1.617530580e+02 1.60 6.460468871e+01 1.213275975e+02 1.489564706e+02 1.62 5.806075359e+01 1.109001239e+02 1.370677598e+02 1.64 5.211973812e+01 1.013695241e+02 1.259854359e+02 1.66 4.675974673e+01 9.263006290e+01 1.156446337e+02 1.68 4.183662586e+01 8.459201921e+01 1.059916456e+02 1.70 3.732633140e+01 7.718376103e+01 9.697903672e+01 1.72 3.320662329e+01 7.034251391e+01 8.857012981e+01 1.74 2.944751293e+01 6.407488004e+01 8.074772124e+01 1.76 2.602214471e+01 5.834717133e+01 7.349299354e+01 1.78 2.290564851e+01 5.302886445e+01 6.677988864e+01 1.80 2.016592640e+01 4.809151569e+01 6.059110582e+01 1.82 1.772955309e+01 4.351271535e+01 5.490548558e+01 1.84 1.549560973e+01 3.927778089e+01 4.969531177e+01 1.86 1.344830388e+01 3.537751919e+01 4.493126950e+01 1.88 1.157130293e+01 3.178727792e+01 4.057317318e+01 1.90 9.848324469e+00 2.848307336e+01 3.658819011e+01 1.92 8.264654679e+00 2.544442520e+01 3.294214737e+01 1.94 6.806610947e+00 2.265242773e+01 2.959945348e+01 1.96 5.461745007e+00 2.008936042e+01 2.653015774e+01 1.98 4.220196925e+00 1.773827275e+01 2.370642860e+01 2.00 3.078823882e+00 1.558289354e+01 2.110802644e+01 2.02 2.064031000e+00 1.377601828e+01 1.897342112e+01 2.04 1.139277163e+00 1.209693596e+01 1.698170203e+01 2.06 3.015334545e-01 1.053349262e+01 1.512438649e+01 2.08 -4.558078988e-01 9.074711732e+00 1.339424141e+01 2.10 -1.139648915e+00 7.711353336e+00 1.178466016e+01 2.12 -1.755818875e+00 6.439153530e+00 1.029048807e+01 2.14 -2.310065084e+00 5.254857991e+00 8.906126952e+00 2.16 -2.812267098e+00 4.155097412e+00 7.624517637e+00 2.18 -3.272816131e+00 3.136444026e+00 6.438402043e+00 2.20 -3.700901751e+00 2.196499903e+00 5.340666711e+00 2.22 -4.104624508e+00 1.332780549e+00 4.324636666e+00 2.24 -4.489503248e+00 5.431542185e-01 3.384106427e+00 2.26 -4.857175227e+00 -1.742330002e-01 2.513032639e+00 2.28 -5.205538370e+00 -8.252605737e-01 1.705397528e+00 2.30 -5.531941559e+00 -1.419218340e+00 9.550465078e-01 2.32 -5.831025879e+00 -1.965104359e+00 2.559823985e-01 2.34 -6.097102006e+00 -2.471453137e+00 -3.975114097e-01 2.36 -6.330774566e+00 -2.945420760e+00 -1.010842480e+00 2.38 -6.534585665e+00 -3.392170601e+00 -1.589008911e+00 2.40 -6.711011159e+00 -3.816388880e+00 -2.136697406e+00 2.42 -6.862309505e+00 -4.221927996e+00 -2.657300732e+00 2.44 -6.989277180e+00 -4.610401009e+00 -3.150622610e+00 2.46 -7.091822783e+00 -4.981053087e+00 -3.616213095e+00 2.48 -7.171290139e+00 -5.332385201e+00 -4.054034402e+00 2.50 -7.230400824e+00 -5.663063008e+00 -4.464338634e+00 2.52 -7.271767277e+00 -5.971182280e+00 -4.846618459e+00 2.54 -7.296366246e+00 -6.253465619e+00 -5.198323044e+00 2.56 -7.304552848e+00 -6.506351040e+00 -5.516358485e+00 2.58 -7.296591813e+00 -6.726067924e+00 -5.797157755e+00 2.60 -7.272704306e+00 -6.908780419e+00 -6.036770218e+00 2.62 -7.233232478e+00 -7.052850256e+00 -6.233865581e+00 2.64 -7.179176259e+00 -7.162116203e+00 -6.393901464e+00 2.66 -7.111634822e+00 -7.241274615e+00 -6.523256655e+00 2.68 -7.031584764e+00 -7.294813710e+00 -6.627990136e+00 2.70 -6.939973006e+00 -7.327012805e+00 -6.713864670e+00 2.72 -6.838126361e+00 -7.341504019e+00 -6.785616227e+00 2.74 -6.727452443e+00 -7.340927233e+00 -6.846320586e+00 2.76 -6.609343503e+00 -7.327784996e+00 -6.898805658e+00 2.78 -6.485159332e+00 -7.304610901e+00 -6.945878694e+00 2.80 -6.356099466e+00 -7.274092717e+00 -6.990359707e+00 2.82 -6.222922910e+00 -7.238393522e+00 -7.034236585e+00 2.84 -6.085917605e+00 -7.197839640e+00 -7.076728399e+00 2.86 -5.945244105e+00 -7.152355052e+00 -7.116454734e+00 2.88 -5.801186356e+00 -7.101841295e+00 -7.152028197e+00 2.90 -5.654336575e+00 -7.046134157e+00 -7.182043302e+00 2.92 -5.505320695e+00 -6.985046706e+00 -7.205128327e+00 2.94 -5.354762240e+00 -6.918378639e+00 -7.219967876e+00 2.96 -5.203246159e+00 -6.845859121e+00 -7.225238372e+00 2.98 -5.051212972e+00 -6.766908286e+00 -7.219598538e+00 3.00 -4.899054689e+00 -6.680815257e+00 -7.201737320e+00 3.02 -4.747221923e+00 -6.587068178e+00 -7.170694249e+00 3.04 -4.596401430e+00 -6.486016587e+00 -7.126789194e+00 3.06 -4.447188141e+00 -6.378208818e+00 -7.070637103e+00 3.08 -4.299889646e+00 -6.264184476e+00 -7.002816711e+00 3.10 -4.154767950e+00 -6.144490395e+00 -6.923829763e+00 3.12 -4.012079728e+00 -6.019676872e+00 -6.834159227e+00 3.14 -3.872058133e+00 -5.890276164e+00 -6.734329971e+00 3.16 -3.734925670e+00 -5.756731619e+00 -6.624883003e+00 3.18 -3.600901591e+00 -5.619477804e+00 -6.506362593e+00 3.20 -3.470201431e+00 -5.478956667e+00 -6.379325265e+00 3.22 -3.343035741e+00 -5.335705197e+00 -6.244511033e+00 3.24 -3.219548851e+00 -5.190366495e+00 -6.102882730e+00 3.26 -3.099773616e+00 -5.043587925e+00 -5.955428285e+00 3.28 -2.983726272e+00 -4.896003956e+00 -5.803145893e+00 3.30 -2.871435089e+00 -4.748243664e+00 -5.647045410e+00 3.32 -2.762912490e+00 -4.600904745e+00 -5.488126385e+00 3.34 -2.658073114e+00 -4.454497660e+00 -5.327292699e+00 3.36 -2.556794498e+00 -4.309511674e+00 -5.165423395e+00 3.38 -2.459021175e+00 -4.166433835e+00 -5.003398066e+00 3.40 -2.364752283e+00 -4.025747321e+00 -4.842094915e+00 3.42 -2.273951856e+00 -3.887826206e+00 -4.682237675e+00 3.44 -2.186500486e+00 -3.752766837e+00 -4.524146379e+00 3.46 -2.102272263e+00 -3.620608407e+00 -4.368062207e+00 3.48 -2.021149034e+00 -3.491385577e+00 -4.214227486e+00 3.50 -1.943008500e+00 -3.365140396e+00 -4.062888508e+00 3.52 -1.867723030e+00 -3.241918183e+00 -3.914294418e+00 3.54 -1.795158787e+00 -3.121760539e+00 -3.768695926e+00 3.56 -1.725174736e+00 -3.004706827e+00 -3.626348451e+00 3.58 -1.657620929e+00 -2.890827326e+00 -3.487515580e+00 3.60 -1.592340183e+00 -2.780225272e+00 -3.352462382e+00 3.62 -1.529187232e+00 -2.672964165e+00 -3.221391255e+00 3.64 -1.468000687e+00 -2.569017674e+00 -3.094366658e+00 3.66 -1.408609216e+00 -2.468373662e+00 -2.971431006e+00 3.68 -1.350838232e+00 -2.371051665e+00 -2.852629402e+00 3.70 -1.294550630e+00 -2.277075463e+00 -2.738009069e+00 3.72 -1.239658829e+00 -2.186451233e+00 -2.627590874e+00 3.74 -1.186069463e+00 -2.099146278e+00 -2.521342105e+00 3.76 -1.133690764e+00 -2.015119442e+00 -2.419218834e+00 3.78 -1.082482325e+00 -1.934326995e+00 -2.321170845e+00 3.80 -1.032445353e+00 -1.856721755e+00 -2.227142180e+00 3.82 -9.835826599e-01 -1.782241604e+00 -2.137056754e+00 3.84 -9.358947637e-01 -1.710800953e+00 -2.050804483e+00 3.86 -8.893815161e-01 -1.642306276e+00 -1.968266116e+00 3.88 -8.440445776e-01 -1.576657339e+00 -1.889316898e+00 3.90 -7.998864727e-01 -1.513746106e+00 -1.813825572e+00 3.92 -7.569016443e-01 -1.453466744e+00 -1.741653224e+00 3.94 -7.150997224e-01 -1.395727105e+00 -1.672651991e+00 3.96 -6.744821850e-01 -1.340429169e+00 -1.606663605e+00 3.98 -6.350732759e-01 -1.287464186e+00 -1.543517759e+00 4.00 -5.968225643e-01 -1.236709550e+00 -1.483030072e+00 4.02 -5.598107689e-01 -1.188030285e+00 -1.425003448e+00 4.04 -5.228988392e-01 -1.141298142e+00 -1.369254433e+00 4.06 -4.883507755e-01 -1.096374735e+00 -1.315592435e+00 4.08 -4.583205698e-01 -1.053101208e+00 -1.263809422e+00 4.10 -4.304444052e-01 -1.011297342e+00 -1.213677675e+00 4.12 -4.009184800e-01 -9.707876444e-01 -1.164982060e+00 4.14 -3.669549634e-01 -9.314832291e-01 -1.117618054e+00 4.16 -3.297095213e-01 -8.933174126e-01 -1.071509610e+00 4.18 -2.920797919e-01 -8.562215665e-01 -1.026580763e+00 4.20 -2.558789851e-01 -8.201091820e-01 -9.827574787e-01 4.22 -2.220620156e-01 -7.849377834e-01 -9.399981236e-01 4.24 -1.917886829e-01 -7.506260718e-01 -8.983004635e-01 4.26 -1.656825372e-01 -7.169954846e-01 -8.576670820e-01 4.28 -1.437786320e-01 -6.842542931e-01 -8.181011299e-01 4.30 -1.257765305e-01 -6.525452233e-01 -7.795961394e-01 4.32 -1.111914993e-01 -6.219606651e-01 -7.421601277e-01 4.34 -9.944050601e-02 -5.925906487e-01 -7.057706047e-01 4.36 -8.990013292e-02 -5.641965296e-01 -6.704452011e-01 4.38 -8.192448277e-02 -5.363125831e-01 -6.361257417e-01 4.40 -7.491056888e-02 -5.085611634e-01 -6.028254911e-01 4.42 -6.862919209e-02 -4.815685919e-01 -5.704948702e-01 4.44 -6.298769702e-02 -4.556789522e-01 -5.385066483e-01 4.46 -5.788923311e-02 -4.312002363e-01 -5.076592273e-01 4.48 -5.323420661e-02 -4.078807731e-01 -4.786279583e-01 4.50 -4.892245656e-02 -3.850124753e-01 -4.518701050e-01 4.52 -4.487043871e-02 -3.613560953e-01 -4.268743176e-01 4.54 -4.105669390e-02 -3.346681859e-01 -4.026101986e-01 4.56 -3.747480636e-02 -3.040918397e-01 -3.786301921e-01 4.58 -3.411792234e-02 -2.699784948e-01 -3.520211430e-01 4.60 -3.097886821e-02 -2.340904503e-01 -3.205406048e-01 4.62 -2.805036368e-02 -1.990018408e-01 -2.838648398e-01 4.64 -2.532544468e-02 -1.664108543e-01 -2.439707448e-01 4.66 -2.279719596e-02 -1.372069164e-01 -2.047057606e-01 4.68 -2.045869639e-02 -1.117393457e-01 -1.685286371e-01 4.70 -1.830306584e-02 -9.001358147e-02 -1.366324631e-01 4.72 -1.632350217e-02 -7.182986382e-02 -1.094092337e-01 4.74 -1.451326938e-02 -5.687748291e-02 -8.677250250e-02 4.76 -1.286426396e-02 -4.479559623e-02 -6.837254678e-02 4.78 -1.136563524e-02 -3.520968352e-02 -5.373246018e-02 4.80 -1.000625905e-02 -2.775094030e-02 -4.232811429e-02 4.82 -8.775443884e-03 -2.206530508e-02 -3.363151058e-02 4.84 -7.663766729e-03 -1.781798382e-02 -2.713358778e-02 4.86 -6.662234352e-03 -1.468812946e-02 -2.234383873e-02 4.88 -5.761999227e-03 -1.236429456e-02 -1.878643175e-02 4.90 -4.954352004e-03 -1.054101398e-02 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