# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Kim-K-H-Lee-B-J--Mg-Nd # implementation = 2018--Jang-H-S--Mg-Nd--LAMMPS--ipr1 # composition = Mg3Nd # 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 1.443577397e+02 nan nan 1.06 1.372921702e+02 nan nan 1.08 1.305455279e+02 nan nan 1.10 1.241040242e+02 nan nan 1.12 1.179544517e+02 1.509727283e+02 nan 1.14 1.120841596e+02 1.442246070e+02 nan 1.16 1.064810311e+02 1.377527774e+02 1.454393807e+02 1.18 1.011334610e+02 1.315465131e+02 1.391541200e+02 1.20 9.603033456e+01 1.255954882e+02 1.331181948e+02 1.22 9.116100710e+01 1.198897628e+02 1.273221793e+02 1.24 8.651528461e+01 1.144197690e+02 1.217569941e+02 1.26 8.208340495e+01 1.091762976e+02 1.164138932e+02 1.28 7.785601991e+01 1.041504849e+02 1.112844523e+02 1.30 7.382417798e+01 9.933380040e+01 1.063605568e+02 1.32 6.997930784e+01 9.471803461e+01 1.016343911e+02 1.34 6.631320254e+01 9.029528734e+01 9.709842730e+01 1.36 6.281800428e+01 8.605795653e+01 9.274541524e+01 1.38 5.948618990e+01 8.199872732e+01 8.856837209e+01 1.40 5.631055684e+01 7.811056160e+01 8.456057290e+01 1.42 5.328420982e+01 7.438668790e+01 8.071554118e+01 1.44 5.040054794e+01 7.082059163e+01 7.702703992e+01 1.46 4.765325243e+01 6.740600566e+01 7.348906293e+01 1.48 4.503627479e+01 6.413690125e+01 7.009582647e+01 1.50 4.254382548e+01 6.100747932e+01 6.684176118e+01 1.52 4.017036312e+01 5.801216197e+01 6.372150429e+01 1.54 3.791058400e+01 5.514558432e+01 6.072989218e+01 1.56 3.575941218e+01 5.240258672e+01 5.786195308e+01 1.58 3.371198990e+01 4.977820713e+01 5.511290017e+01 1.60 3.176366841e+01 4.726767379e+01 5.247812481e+01 1.62 2.990999918e+01 4.486639826e+01 4.995319010e+01 1.64 2.814672550e+01 4.256996853e+01 4.753382459e+01 1.66 2.646977435e+01 4.037414256e+01 4.521591632e+01 1.68 2.487524874e+01 3.827484188e+01 4.299550698e+01 1.70 2.335942021e+01 3.626814559e+01 4.086878628e+01 1.72 2.191872179e+01 3.435028445e+01 3.883208665e+01 1.74 2.054974113e+01 3.251763519e+01 3.688187792e+01 1.76 1.924921398e+01 3.076671513e+01 3.501476241e+01 1.78 1.801401795e+01 2.909417689e+01 3.322747003e+01 1.80 1.684116649e+01 2.749680331e+01 3.151685363e+01 1.82 1.572780311e+01 2.597150259e+01 2.987988452e+01 1.84 1.467119595e+01 2.451530358e+01 2.831364814e+01 1.86 1.366873242e+01 2.312535126e+01 2.681533985e+01 1.88 1.271791414e+01 2.179890233e+01 2.538226097e+01 1.90 1.181635215e+01 2.053332107e+01 2.401181481e+01 1.92 1.096176221e+01 1.932607520e+01 2.270150300e+01 1.94 1.015196034e+01 1.817473205e+01 2.144892186e+01 1.96 9.384858599e+00 1.707695475e+01 2.025175890e+01 1.98 8.658460930e+00 1.603049860e+01 1.910778951e+01 2.00 7.970859298e+00 1.503320762e+01 1.801487369e+01 2.02 7.320229899e+00 1.408301111e+01 1.697095295e+01 2.04 6.704829576e+00 1.317792049e+01 1.597404732e+01 2.06 6.122992369e+00 1.231602611e+01 1.502225245e+01 2.08 5.573126208e+00 1.149549429e+01 1.411373679e+01 2.10 5.053709751e+00 1.071456438e+01 1.324673894e+01 2.12 4.563289355e+00 9.971546014e+00 1.241956506e+01 2.14 4.100476165e+00 9.264816380e+00 1.163058632e+01 2.16 3.663943335e+00 8.592817659e+00 1.087823656e+01 2.18 3.252423362e+00 7.954054526e+00 1.016100992e+01 2.20 2.864705534e+00 7.347091747e+00 9.477458633e+00 2.22 2.499633477e+00 6.770551872e+00 8.826190837e+00 2.24 2.156102821e+00 6.223113011e+00 8.205868531e+00 2.26 1.833058949e+00 5.703506688e+00 7.615205556e+00 2.28 1.529494850e+00 5.210515781e+00 7.052965667e+00 2.30 1.244449057e+00 4.742972538e+00 6.517960672e+00 2.32 9.770036808e-01 4.299756665e+00 6.009048645e+00 2.34 7.262825125e-01 3.879793485e+00 5.525132192e+00 2.36 4.914492219e-01 3.482052170e+00 5.065156793e+00 2.38 2.717056202e-01 3.105544034e+00 4.628109195e+00 2.40 6.629000319e-02 2.749320895e+00 4.213015864e+00 2.42 -1.255244380e-01 2.412473493e+00 3.818941504e+00 2.44 -3.044311409e-01 2.094129974e+00 3.444987614e+00 2.46 -4.710916251e-01 1.793454425e+00 3.090291108e+00 2.48 -6.261368899e-01 1.509645469e+00 2.754022986e+00 2.50 -7.701687506e-01 1.241934911e+00 2.435387048e+00 2.52 -9.037611156e-01 9.895864325e-01 2.133618655e+00 2.54 -1.027461213e+00 7.518943411e-01 1.847983543e+00 2.56 -1.141790764e+00 5.281823633e-01 1.577776671e+00 2.58 -1.247247101e+00 3.178024835e-01 1.322321119e+00 2.60 -1.344304250e+00 1.201338294e-01 1.080967019e+00 2.62 -1.433413950e+00 -6.541840374e-02 8.530905319e-01 2.64 -1.515006649e+00 -2.394239840e-01 6.380928569e-01 2.66 -1.589492436e+00 -4.024286385e-01 4.353992815e-01 2.68 -1.657261952e+00 -5.549550067e-01 2.444582630e-01 2.70 -1.718687248e+00 -6.975035620e-01 6.474054538e-02 2.72 -1.774122616e+00 -8.305534935e-01 -1.042616911e-01 2.74 -1.823905378e+00 -9.545635579e-01 -2.630356496e-01 2.76 -1.868356646e+00 -1.069972896e+00 -4.120487064e-01 2.78 -1.907782041e+00 -1.177201818e+00 -5.517491699e-01 2.80 -1.942472395e+00 -1.276652563e+00 -6.825670139e-01 2.82 -1.972704408e+00 -1.368710022e+00 -8.049145815e-01 2.84 -1.998741287e+00 -1.453742438e+00 -9.191872645e-01 2.86 -2.020833351e+00 -1.532102078e+00 -1.025764157e+00 2.88 -2.039218614e+00 -1.604125879e+00 -1.125008684e+00 2.90 -2.054123345e+00 -1.670136070e+00 -1.217269210e+00 2.92 -2.065762591e+00 -1.730440765e+00 -1.302879619e+00 2.94 -2.074340697e+00 -1.785334544e+00 -1.382159879e+00 2.96 -2.080051785e+00 -1.835098995e+00 -1.455416581e+00 2.98 -2.083080224e+00 -1.880003252e+00 -1.522943462e+00 3.00 -2.083601076e+00 -1.920304500e+00 -1.585021905e+00 3.02 -2.081780518e+00 -1.956248466e+00 -1.641921420e+00 3.04 -2.077776257e+00 -1.988069890e+00 -1.693900113e+00 3.06 -2.071737913e+00 -2.015992976e+00 -1.741205129e+00 3.08 -2.063807396e+00 -2.040231825e+00 -1.784073083e+00 3.10 -2.054119259e+00 -2.060993370e+00 -1.822730476e+00 3.12 -2.042801045e+00 -2.078503839e+00 -1.857394092e+00 3.14 -2.029973607e+00 -2.092915290e+00 -1.888271385e+00 3.16 -2.015751422e+00 -2.104369989e+00 -1.915560842e+00 3.18 -2.000242890e+00 -2.113073470e+00 -1.939452346e+00 3.20 -1.983550617e+00 -2.119187439e+00 -1.960127510e+00 3.22 -1.965771688e+00 -2.122866097e+00 -1.977760013e+00 3.24 -1.946997927e+00 -2.124256455e+00 -1.992515913e+00 3.26 -1.927316148e+00 -2.123498640e+00 -2.004553953e+00 3.28 -1.906814245e+00 -2.120726182e+00 -2.014025851e+00 3.30 -1.886675271e+00 -2.116066292e+00 -2.021076586e+00 3.32 -1.871281141e+00 -2.109640135e+00 -2.025844668e+00 3.34 -1.850912409e+00 -2.101563080e+00 -2.028462396e+00 3.36 -1.827799512e+00 -2.091944953e+00 -2.029056114e+00 3.38 -1.804204273e+00 -2.080890270e+00 -2.027746446e+00 3.40 -1.780184641e+00 -2.068498465e+00 -2.024648536e+00 3.42 -1.755796097e+00 -2.054864109e+00 -2.019883815e+00 3.44 -1.731119125e+00 -2.040077120e+00 -2.013924670e+00 3.46 -1.706245568e+00 -2.024222962e+00 -2.007423425e+00 3.48 -1.681051188e+00 -2.007382840e+00 -1.998333613e+00 3.50 -1.655665043e+00 -1.989633884e+00 -1.987835969e+00 3.52 -1.630136617e+00 -1.971049326e+00 -1.976137337e+00 3.54 -1.604503383e+00 -1.951698673e+00 -1.963320281e+00 3.56 -1.578800436e+00 -1.931647866e+00 -1.949463440e+00 3.58 -1.553060616e+00 -1.910959441e+00 -1.934641696e+00 3.60 -1.527314621e+00 -1.889692679e+00 -1.918926330e+00 3.62 -1.501591114e+00 -1.867903748e+00 -1.902385170e+00 3.64 -1.475916829e+00 -1.845645907e+00 -1.885082739e+00 3.66 -1.450316666e+00 -1.822969823e+00 -1.867080391e+00 3.68 -1.424813791e+00 -1.799922680e+00 -1.848436446e+00 3.70 -1.399429721e+00 -1.776549221e+00 -1.829206321e+00 3.72 -1.374184412e+00 -1.752892400e+00 -1.809442647e+00 3.74 -1.349096339e+00 -1.728992427e+00 -1.789195395e+00 3.76 -1.324182579e+00 -1.704887258e+00 -1.768511985e+00 3.78 -1.299458878e+00 -1.680612694e+00 -1.747437397e+00 3.80 -1.274939729e+00 -1.656202487e+00 -1.726014274e+00 3.82 -1.250638433e+00 -1.631688424e+00 -1.704283027e+00 3.84 -1.226567170e+00 -1.607100428e+00 -1.682281928e+00 3.86 -1.202737053e+00 -1.582466640e+00 -1.660047206e+00 3.88 -1.179158196e+00 -1.557813500e+00 -1.637613134e+00 3.90 -1.155839758e+00 -1.533165831e+00 -1.615012117e+00 3.92 -1.132790007e+00 -1.508546913e+00 -1.592274770e+00 3.94 -1.110016363e+00 -1.483978558e+00 -1.569430005e+00 3.96 -1.087525449e+00 -1.459481175e+00 -1.546505098e+00 3.98 -1.065323137e+00 -1.435073844e+00 -1.523525767e+00 4.00 -1.043414591e+00 -1.410774375e+00 -1.500516243e+00 4.02 -1.021804308e+00 -1.386599372e+00 -1.477499332e+00 4.04 -1.000496157e+00 -1.362564288e+00 -1.454496483e+00 4.06 -9.794934191e-01 -1.338683487e+00 -1.431527850e+00 4.08 -9.587988194e-01 -1.314970293e+00 -1.408612349e+00 4.10 -9.384145638e-01 -1.291437045e+00 -1.385767717e+00 4.12 -9.183423697e-01 -1.268095142e+00 -1.363010565e+00 4.14 -8.985834970e-01 -1.244955095e+00 -1.340356430e+00 4.16 -8.791387775e-01 -1.222026568e+00 -1.317819827e+00 4.18 -8.600086418e-01 -1.199318423e+00 -1.295452864e+00 4.20 -8.411931463e-01 -1.176838760e+00 -1.278662887e+00 4.22 -8.226919975e-01 -1.154594960e+00 -1.291521286e+00 4.24 -8.045045759e-01 -1.132593716e+00 -1.321565126e+00 4.26 -7.866299583e-01 -1.110841076e+00 -1.300761183e+00 4.28 -7.690669391e-01 -1.089342473e+00 -1.278645113e+00 4.30 -7.518140505e-01 -1.068102758e+00 -1.256710372e+00 4.32 -7.348695817e-01 -1.047126234e+00 -1.234965339e+00 4.34 -7.182315965e-01 -1.026416683e+00 -1.213417729e+00 4.36 -7.018979513e-01 -1.005977395e+00 -1.192074633e+00 4.38 -6.858663104e-01 -9.858111992e-01 -1.170942543e+00 4.40 -6.701341623e-01 -9.659204842e-01 -1.150027386e+00 4.42 -6.546988334e-01 -9.463072267e-01 -1.129334546e+00 4.44 -6.395575023e-01 -9.269730139e-01 -1.108868900e+00 4.46 -6.247072127e-01 -9.079190667e-01 -1.088634835e+00 4.48 -6.101448857e-01 -8.891462606e-01 -1.068636279e+00 4.50 -5.958673311e-01 -8.706551469e-01 -1.048876721e+00 4.52 -5.818712588e-01 -8.524459720e-01 -1.029359238e+00 4.54 -5.681532890e-01 -8.345186962e-01 -1.010086511e+00 4.56 -5.547099619e-01 -8.168730115e-01 -9.910608519e-01 4.58 -5.415377469e-01 -7.995083584e-01 -9.722842189e-01 4.60 -5.286330511e-01 -7.824239425e-01 -9.537582378e-01 4.62 -5.159922280e-01 -7.656187493e-01 -9.354842199e-01 4.64 -5.036115846e-01 -7.490915595e-01 -9.174631789e-01 4.66 -4.914873888e-01 -7.328409625e-01 -8.996958484e-01 4.68 -4.796158763e-01 -7.168653696e-01 -8.821826971e-01 4.70 -4.679932569e-01 -7.011630270e-01 -8.649239444e-01 4.72 -4.566157204e-01 -6.857320276e-01 -8.479195749e-01 4.74 -4.454794421e-01 -6.705703222e-01 -8.311693523e-01 4.76 -4.345805885e-01 -6.556757308e-01 -8.146728326e-01 4.78 -4.239153216e-01 -6.410459523e-01 -7.984293770e-01 4.80 -4.134798039e-01 -6.266785748e-01 -7.824381636e-01 4.82 -4.032703513e-01 -6.125710843e-01 -7.666981992e-01 4.84 -3.940525305e-01 -5.987208743e-01 -7.512083305e-01 4.86 -3.926957667e-01 -5.851252532e-01 -7.359672541e-01 4.88 -4.068851640e-01 -5.717814527e-01 -7.209735268e-01 4.90 -4.046042743e-01 -5.586866355e-01 -7.062255754e-01 4.92 -3.953983848e-01 -5.458379018e-01 -6.917217053e-01 4.94 -3.863734020e-01 -5.332322963e-01 -6.774601094e-01 4.96 -3.775266047e-01 -5.208668147e-01 -6.634388763e-01 4.98 -3.688552697e-01 -5.087384093e-01 -6.496559984e-01 5.00 -3.603566741e-01 -4.968439951e-01 -6.361093790e-01 5.02 -3.520280986e-01 -4.851804547e-01 -6.227968396e-01 5.04 -3.438668299e-01 -4.737446436e-01 -6.097161266e-01 5.06 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-4.110351624e-01 5.42 -4.478490736e-02 -3.632226712e-01 -4.018707414e-01 5.44 -4.396081240e-02 -3.559998510e-01 -3.928852072e-01 5.46 -4.315461301e-02 -3.489086641e-01 -3.840758108e-01 5.48 -4.236593694e-02 -3.419470894e-01 -3.754398135e-01 5.50 -4.159441836e-02 -3.351131172e-01 -3.669744884e-01 5.52 -4.083969783e-02 -3.284047499e-01 -3.586771224e-01 5.54 -4.010142226e-02 -3.218200039e-01 -3.505450178e-01 5.56 -3.937924493e-02 -3.153569097e-01 -3.425754934e-01 5.58 -3.867282541e-02 -3.090135131e-01 -3.347658864e-01 5.60 -3.798182950e-02 -3.027878763e-01 -3.271135535e-01 5.62 -3.730592925e-02 -2.966780781e-01 -3.196158718e-01 5.64 -3.664480287e-02 -2.906822148e-01 -3.122702405e-01 5.66 -3.599813466e-02 -2.847984010e-01 -3.050740814e-01 5.68 -3.536561500e-02 -2.790247699e-01 -2.980248401e-01 5.70 -3.474694024e-02 -2.733594740e-01 -2.911199868e-01 5.72 -3.414181268e-02 -2.678006856e-01 -2.843570169e-01 5.74 -3.354994048e-02 -2.623465969e-01 -2.777334523e-01 5.76 -3.297103758e-02 -2.569954209e-01 -2.712468411e-01 5.78 -3.240482368e-02 -2.517453913e-01 -2.648947593e-01 5.80 -3.185102410e-02 -2.465947628e-01 -2.586748103e-01 5.82 -3.130936976e-02 -2.415418119e-01 -2.525846260e-01 5.84 -3.077959708e-02 -2.365848364e-01 -2.466218670e-01 5.86 -3.026144791e-02 -2.317221561e-01 -2.407842229e-01 5.88 -2.975466943e-02 -2.269521127e-01 -2.350694130e-01 5.90 -2.925901411e-02 -2.222730702e-01 -2.294751859e-01 5.92 -2.871888337e-02 -2.175828694e-01 -2.241890903e-01 5.94 -2.742813518e-02 -2.114873872e-01 -2.214119770e-01 5.96 -2.344460240e-02 -1.964998732e-01 -2.200589993e-01 5.98 -1.360970692e-02 -1.374661922e-01 -1.734815108e-01 6.00 -4.752427326e-23 -3.554698624e-22 -2.781097434e-22