# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Mo3Pb # 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 2024-04-11 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 4.375235743e+02 nan nan 1.16 4.043128515e+02 nan nan 1.18 3.737345658e+02 nan nan 1.20 3.455383467e+02 nan nan 1.22 3.195010821e+02 nan nan 1.24 2.954271498e+02 nan nan 1.26 2.731489373e+02 nan nan 1.28 2.525250866e+02 3.819684267e+02 4.345820455e+02 1.30 2.334350394e+02 3.552871238e+02 4.047636564e+02 1.32 2.157713336e+02 3.305213135e+02 3.770743710e+02 1.34 1.994328949e+02 3.075215814e+02 3.513522250e+02 1.36 1.843215695e+02 2.861529871e+02 3.274481098e+02 1.38 1.703417742e+02 2.662912852e+02 3.052232393e+02 1.40 1.574017733e+02 2.478206347e+02 2.845477502e+02 1.42 1.454152922e+02 2.306328602e+02 2.653003469e+02 1.44 1.343029484e+02 2.146275671e+02 2.473688565e+02 1.46 1.239932534e+02 1.997124235e+02 2.306511493e+02 1.48 1.144229931e+02 1.858033612e+02 2.150555744e+02 1.50 1.055367797e+02 1.728246747e+02 2.005005214e+02 1.52 9.728574329e+01 1.607089099e+02 1.869131491e+02 1.54 8.962577862e+01 1.493963087e+02 1.742275958e+02 1.56 8.251604088e+01 1.388337082e+02 1.623830819e+02 1.58 7.591822094e+01 1.289730753e+02 1.513223826e+02 1.60 6.979652436e+01 1.197699927e+02 1.409910404e+02 1.62 6.411782023e+01 1.111824297e+02 1.313372930e+02 1.64 5.885151367e+01 1.031699778e+02 1.223123748e+02 1.66 5.396905957e+01 9.569361828e+01 1.138708522e+02 1.68 4.944854868e+01 8.871588863e+01 1.059708137e+02 1.70 4.527032181e+01 8.220127467e+01 9.857391696e+01 1.72 4.141384342e+01 7.611661348e+01 9.164535150e+01 1.74 3.785396197e+01 7.043138177e+01 8.515371625e+01 1.76 3.456634301e+01 6.511780347e+01 7.907074072e+01 1.78 3.152802722e+01 6.015077461e+01 7.337079688e+01 1.80 2.871753520e+01 5.550763886e+01 6.803026771e+01 1.82 2.611495250e+01 5.116992170e+01 6.302693799e+01 1.84 2.370204581e+01 4.712636933e+01 5.833958312e+01 1.86 2.146242400e+01 4.336565597e+01 5.394781632e+01 1.88 1.938167898e+01 3.987029839e+01 4.983612846e+01 1.90 1.744740190e+01 3.662283839e+01 4.599011630e+01 1.92 1.564900504e+01 3.360677656e+01 4.239758239e+01 1.94 1.397737916e+01 3.080650295e+01 3.904490317e+01 1.96 1.242447033e+01 2.820723609e+01 3.591679052e+01 1.98 1.098290205e+01 2.579497443e+01 3.299889588e+01 2.00 9.645713353e+00 2.355644217e+01 3.027760181e+01 2.02 8.406231337e+00 2.147902752e+01 2.773989674e+01 2.04 7.258041913e+00 1.955071703e+01 2.537336014e+01 2.06 6.195018119e+00 1.776004547e+01 2.316624033e+01 2.08 5.211354343e+00 1.609608124e+01 2.110757969e+01 2.10 4.301591425e+00 1.454846365e+01 1.918731429e+01 2.12 3.460622206e+00 1.310748806e+01 1.739631239e+01 2.14 2.683680820e+00 1.176421542e+01 1.572633494e+01 2.16 1.966322112e+00 1.051057442e+01 1.416993345e+01 2.18 1.304393454e+00 9.339420149e+00 1.272031470e+01 2.20 6.940130086e-01 8.244524280e+00 1.137119596e+01 2.22 1.315455256e-01 7.220502751e+00 1.011668813e+01 2.24 -3.864108157e-01 6.262694964e+00 8.951196228e+00 2.26 -8.630291344e-01 5.367023260e+00 7.869356442e+00 2.28 -1.301249133e+00 4.529852855e+00 6.865999356e+00 2.30 -1.703766488e+00 3.747877458e+00 5.936128821e+00 2.32 -2.073020476e+00 3.018021443e+00 5.074916173e+00 2.34 -2.411185969e+00 2.337381630e+00 4.277698538e+00 2.36 -2.720177732e+00 1.703184774e+00 3.539980047e+00 2.38 -3.001656313e+00 1.112770747e+00 2.857431648e+00 2.40 -3.257051182e+00 5.635900654e-01 2.225898559e+00 2.42 -3.487474474e+00 5.321175728e-02 1.641409584e+00 2.44 -3.693646921e+00 -4.206652384e-01 1.100199039e+00 2.46 -3.876840499e+00 -8.601994033e-01 5.987367754e-01 2.48 -4.038246374e+00 -1.267397545e+00 1.337608058e-01 2.50 -4.178940450e+00 -1.644110442e+00 -2.976950183e-01 2.52 -4.299930892e+00 -1.992034088e+00 -6.982885898e-01 2.54 -4.402198808e+00 -2.312716281e+00 -1.070372705e+00 2.56 -4.486729818e+00 -2.607567792e+00 -1.416016206e+00 2.58 -4.554342049e+00 -2.877877170e+00 -1.737037573e+00 2.60 -4.605138168e+00 -3.124828359e+00 -2.035045227e+00 2.62 -4.639171384e+00 -3.349477273e+00 -2.311478039e+00 2.64 -4.656646321e+00 -3.552613224e+00 -2.567645532e+00 2.66 -4.657909299e+00 -3.735299859e+00 -2.804754453e+00 2.68 -4.643449000e+00 -3.898790875e+00 -3.023933387e+00 2.70 -4.613907221e+00 -4.044304389e+00 -3.225965164e+00 2.72 -4.570096921e+00 -4.173012039e+00 -3.411890536e+00 2.74 -4.513022020e+00 -4.286046241e+00 -3.582970206e+00 2.76 -4.443891071e+00 -4.384502004e+00 -3.740351935e+00 2.78 -4.364115753e+00 -4.469431901e+00 -3.885074372e+00 2.80 -4.275287012e+00 -4.541620269e+00 -4.018068114e+00 2.82 -4.179123495e+00 -4.601462868e+00 -4.140156087e+00 2.84 -4.077396264e+00 -4.649233798e+00 -4.252054434e+00 2.86 -3.971836518e+00 -4.685161133e+00 -4.354374357e+00 2.88 -3.864039991e+00 -4.709516929e+00 -4.447474856e+00 2.90 -3.755382472e+00 -4.722620680e+00 -4.531284771e+00 2.92 -3.646957660e+00 -4.724842916e+00 -4.605673071e+00 2.94 -3.539552886e+00 -4.716608811e+00 -4.670503655e+00 2.96 -3.433643736e+00 -4.698398911e+00 -4.725628682e+00 2.98 -3.329433509e+00 -4.670744664e+00 -4.770892873e+00 3.00 -3.227000020e+00 -4.634217614e+00 -4.806128769e+00 3.02 -3.125978809e+00 -4.589412610e+00 -4.831169476e+00 3.04 -3.025817968e+00 -4.536926267e+00 -4.845856370e+00 3.06 -2.926025072e+00 -4.477337550e+00 -4.850049391e+00 3.08 -2.826106045e+00 -4.411183383e+00 -4.843636947e+00 3.10 -2.725686296e+00 -4.338946411e+00 -4.826544182e+00 3.12 -2.624636624e+00 -4.261044531e+00 -4.798738810e+00 3.14 -2.523056137e+00 -4.177832393e+00 -4.760234261e+00 3.16 -2.421226988e+00 -4.089600106e+00 -4.711090542e+00 3.18 -2.319553844e+00 -3.996586038e+00 -4.651413725e+00 3.20 -2.218500089e+00 -3.898987979e+00 -4.581355321e+00 3.22 -2.118531337e+00 -3.796979573e+00 -4.501113580e+00 3.24 -2.020073363e+00 -3.690788940e+00 -4.410936617e+00 3.26 -1.923487442e+00 -3.580512435e+00 -4.311130345e+00 3.28 -1.829062313e+00 -3.466225325e+00 -4.202069975e+00 3.30 -1.737019357e+00 -3.348076043e+00 -4.084215261e+00 3.32 -1.647526285e+00 -3.226302298e+00 -3.958127976e+00 3.34 -1.560714474e+00 -3.101210895e+00 -3.824501139e+00 3.36 -1.476695823e+00 -2.973183335e+00 -3.684226640e+00 3.38 -1.395576115e+00 -2.842739167e+00 -3.538081290e+00 3.40 -1.317463207e+00 -2.710539516e+00 -3.386967464e+00 3.42 -1.242468197e+00 -2.577376908e+00 -3.231978227e+00 3.44 -1.170708840e+00 -2.444151800e+00 -3.074305061e+00 3.46 -1.102293939e+00 -2.311840074e+00 -2.915212310e+00 3.48 -1.037321539e+00 -2.181450942e+00 -2.756089990e+00 3.50 -9.758682059e-01 -2.053980221e+00 -2.598395016e+00 3.52 -9.179809786e-01 -1.930363461e+00 -2.443584492e+00 3.54 -8.636712945e-01 -1.811433736e+00 -2.293034128e+00 3.56 -8.129115292e-01 -1.697888187e+00 -2.147977949e+00 3.58 -7.656343851e-01 -1.590266055e+00 -2.009454114e+00 3.60 -7.217349966e-01 -1.488939229e+00 -1.878270399e+00 3.62 -6.810753076e-01 -1.394114695e+00 -1.754989332e+00 3.64 -6.434901303e-01 -1.305846913e+00 -1.639931792e+00 3.66 -6.087941207e-01 -1.224057385e+00 -1.533195823e+00 3.68 -5.767889665e-01 -1.148558371e+00 -1.434686202e+00 3.70 -5.472702220e-01 -1.079077951e+00 -1.344150050e+00 3.72 -5.200327092e-01 -1.015284151e+00 -1.261214254e+00 3.74 -4.948766288e-01 -9.568065419e-01 -1.185421354e+00 3.76 -4.716117353e-01 -9.032544307e-01 -1.116261647e+00 3.78 -4.500586578e-01 -8.542313886e-01 -1.053200264e+00 3.80 -4.300508315e-01 -8.093462898e-01 -9.956987913e-01 3.82 -4.114354832e-01 -7.682213280e-01 -9.432316152e-01 3.84 -3.940738861e-01 -7.304975670e-01 -8.952975311e-01 3.86 -3.778410849e-01 -6.958385670e-01 -8.514273441e-01 3.88 -3.626252572e-01 -6.639325409e-01 -8.111882382e-01 3.90 -3.483268436e-01 -6.344933901e-01 -7.741856559e-01 3.92 -3.348571572e-01 -6.072603766e-01 -7.400625979e-01 3.94 -3.221389894e-01 -5.819997213e-01 -7.085015195e-01 3.96 -3.101029538e-01 -5.585002882e-01 -6.792173231e-01 3.98 -2.986883191e-01 -5.365745263e-01 -6.519582596e-01 4.00 -2.878415762e-01 -5.160562192e-01 -6.265021980e-01 4.02 -2.775155692e-01 -4.967986835e-01 -6.026537616e-01 4.04 -2.676687078e-01 -4.786729116e-01 -5.802415347e-01 4.06 -2.582642613e-01 -4.615657359e-01 -5.591154261e-01 4.08 -2.492697312e-01 -4.453774993e-01 -5.391442367e-01 4.10 -2.406562983e-01 -4.300200490e-01 -5.202134577e-01 4.12 -2.323983384e-01 -4.154212525e-01 -5.022233057e-01 4.14 -2.244729994e-01 -4.015133408e-01 -4.850869857e-01 4.16 -2.168598342e-01 -3.882383382e-01 -4.687291663e-01 4.18 -2.095404824e-01 -3.755453319e-01 -4.530846452e-01 4.20 -2.024983955e-01 -3.633895558e-01 -4.380971701e-01 4.22 -1.957185998e-01 -3.517315719e-01 -4.237183843e-01 4.24 -1.891874919e-01 -3.405365491e-01 -4.099068603e-01 4.26 -1.828926633e-01 -3.297736331e-01 -3.966271950e-01 4.28 -1.768227485e-01 -3.194154005e-01 -3.838491454e-01 4.30 -1.709672954e-01 -3.094373869e-01 -3.715467895e-01 4.32 -1.653166530e-01 -2.998176818e-01 -3.596977147e-01 4.34 -1.598618754e-01 -2.905365794e-01 -3.482820621e-01 4.36 -1.545939429e-01 -2.815762810e-01 -3.372817943e-01 4.38 -1.495065935e-01 -2.729206388e-01 -3.266809855e-01 4.40 -1.445917031e-01 -2.645549369e-01 -3.164645374e-01 4.42 -1.398424246e-01 -2.564657042e-01 -3.066177668e-01 4.44 -1.352522978e-01 -2.486405536e-01 -2.971261792e-01 4.46 -1.308152099e-01 -2.410680443e-01 -2.879753618e-01 4.48 -1.265253595e-01 -2.337375639e-01 -2.791509733e-01 4.50 -1.223772260e-01 -2.266392267e-01 -2.706388055e-01 4.52 -1.183649840e-01 -2.197637859e-01 -2.624232599e-01 4.54 -1.144848061e-01 -2.131025588e-01 -2.544942372e-01 4.56 -1.107311931e-01 -2.066473613e-01 -2.468366345e-01 4.58 -1.070995062e-01 -2.003904509e-01 -2.394378616e-01 4.60 -1.035852769e-01 -1.943244781e-01 -2.322859558e-01 4.62 -1.001841918e-01 -1.884424431e-01 -2.253696234e-01 4.64 -9.689207794e-02 -1.827376585e-01 -2.186782579e-01 4.66 -9.370488958e-02 -1.772037164e-01 -2.122019348e-01 4.68 -9.061869605e-02 -1.718344593e-01 -2.059313907e-01 4.70 -8.762967014e-02 -1.666239551e-01 -1.998579899e-01 4.72 -8.473407731e-02 -1.615664749e-01 -1.939736836e-01 4.74 -8.192826547e-02 -1.566564734e-01 -1.882709650e-01 4.76 -7.920865529e-02 -1.518885727e-01 -1.827428229e-01 4.78 -7.657173080e-02 -1.472575478e-01 -1.773826963e-01 4.80 -7.401403043e-02 -1.427575196e-01 -1.721844316e-01 4.82 -7.153214029e-02 -1.383852556e-01 -1.671422415e-01 4.84 -6.912268552e-02 -1.341349869e-01 -1.622506690e-01 4.86 -6.678232325e-02 -1.300020147e-01 -1.575045533e-01 4.88 -6.450773638e-02 -1.259817622e-01 -1.528990008e-01 4.90 -6.229562835e-02 -1.220697787e-01 -1.484293581e-01 4.92 -6.014271914e-02 -1.182617459e-01 -1.440911888e-01 4.94 -5.804574274e-02 -1.145534901e-01 -1.398802529e-01 4.96 -5.600144647e-02 -1.109409977e-01 -1.357924889e-01 4.98 -5.400659269e-02 -1.074204361e-01 -1.318239974e-01 5.00 -5.205796316e-02 -1.039881791e-01 -1.279710273e-01 5.02 -5.015236773e-02 -1.006408364e-01 -1.242299631e-01 5.04 -4.828665449e-02 -9.737528747e-02 -1.205973141e-01 5.06 -4.645772663e-02 -9.418871729e-02 -1.170697045e-01 5.08 -4.466256534e-02 -9.107865204e-02 -1.136438640e-01 5.10 -4.289825795e-02 -8.804299499e-02 -1.103166203e-01 5.12 -4.116203288e-02 -8.508005691e-02 -1.070848916e-01 5.14 -3.945130162e-02 -8.218857816e-02 -1.039456798e-01 5.16 -3.776370794e-02 -7.936773864e-02 -1.008960639e-01 5.18 -3.609718405e-02 -7.661715181e-02 -9.793319496e-02 5.20 -3.445001265e-02 -7.393683941e-02 -9.505428962e-02 5.22 -3.282089324e-02 -7.132718491e-02 -9.225662547e-02 5.24 -3.120901023e-02 -6.878886483e-02 -8.953753579e-02 5.26 -2.961409914e-02 -6.632274331e-02 -8.689440477e-02 5.28 -2.803650635e-02 -6.392970286e-02 -8.432466278e-02 5.30 -2.647723711e-02 -6.161072929e-02 -8.182578185e-02 5.32 -2.493790778e-02 -5.936668855e-02 -7.939527130e-02 5.34 -2.342077419e-02 -5.719818711e-02 -7.703067327e-02 5.36 -2.192894547e-02 -5.510547136e-02 -7.472955829e-02 5.38 -2.046614675e-02 -5.308834977e-02 -7.248952255e-02 5.40 -1.903661890e-02 -5.114614012e-02 -7.030818339e-02 5.42 -1.764498819e-02 -4.927764613e-02 -6.818317569e-02 5.44 -1.629610452e-02 -4.748116261e-02 -6.611214858e-02 5.46 -1.499485610e-02 -4.575450606e-02 -6.409276263e-02 5.48 -1.374597126e-02 -4.409506592e-02 -6.212268747e-02 5.50 -1.255382068e-02 -4.249987048e-02 -6.019960005e-02 5.52 -1.142223372e-02 -4.096566123e-02 -5.832118359e-02 5.54 -1.035434182e-02 -3.948897009e-02 -5.648472204e-02 5.56 -9.352459529e-03 -3.806619448e-02 -5.468878023e-02 5.58 -8.418010302e-03 -3.669366691e-02 -5.293059394e-02 5.60 -7.551499577e-03 -3.536771688e-02 -5.120788488e-02 5.62 -6.752533730e-03 -3.408472382e-02 -4.951839470e-02 5.64 -6.019879473e-03 -3.284116008e-02 -4.785989180e-02 5.66 -5.351555612e-03 -3.163362732e-02 -4.623018322e-02 5.68 -4.744947546e-03 -3.045888527e-02 -4.462712843e-02 5.70 -4.196934504e-03 -2.931387476e-02 -4.304865630e-02 5.72 -3.704020253e-03 -2.819573671e-02 -4.149278537e-02 5.74 -3.262459443e-03 -2.710182850e-02 -3.995764791e-02 5.76 -2.868373638e-03 -2.602973901e-02 -3.844151760e-02 5.78 -2.517852983e-03 -2.497730326e-02 -3.694284078e-02 5.80 -2.207041377e-03 -2.394261747e-02 -3.546027100e-02 5.82 -1.932204507e-03 -2.292405468e-02 -3.399270613e-02 5.84 -1.689781330e-03 -2.192028098e-02 -3.253932709e-02 5.86 -1.476420431e-03 -2.093027180e-02 -3.109963686e-02 5.88 -1.289003151e-03 -1.995332740e-02 -2.967349795e-02 5.90 -1.124655618e-03 -1.898908636e-02 -2.826116616e-02 5.92 -9.807518510e-04 -1.803753540e-02 -2.686331810e-02 5.94 -8.549099345e-04 -1.709899759e-02 -2.548104512e-02 5.96 -7.449830837e-04 -1.617407103e-02 -2.411577212e-02 5.98 -6.490471411e-04 -1.526379114e-02 -2.276951057e-02 6.00 -5.653857922e-04 -1.436952654e-02 -2.144471107e-02