# 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 = Id3Na # 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 2024-11-27 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 nan nan nan 1.18 nan nan nan 1.20 6.117801307e+03 nan nan 1.22 5.293741315e+03 nan nan 1.24 4.597137434e+03 nan nan 1.26 4.006305512e+03 nan nan 1.28 3.503535933e+03 nan nan 1.30 3.074264362e+03 nan nan 1.32 2.706557757e+03 nan nan 1.34 2.390564382e+03 4.979709959e+03 nan 1.36 2.118138788e+03 4.381153334e+03 5.451932977e+03 1.38 1.882569816e+03 3.865889426e+03 4.803506183e+03 1.40 1.678199687e+03 3.421009218e+03 4.244162695e+03 1.42 1.500392961e+03 3.035997895e+03 3.760497102e+03 1.44 1.345258349e+03 2.701813570e+03 3.341103789e+03 1.46 1.209508408e+03 2.410918895e+03 2.976607741e+03 1.48 1.090361318e+03 2.157160057e+03 2.658846330e+03 1.50 9.854973742e+02 1.935086793e+03 2.381174244e+03 1.52 8.929351536e+02 1.740254966e+03 2.137867549e+03 1.54 8.110206879e+02 1.568997231e+03 1.924267130e+03 1.56 7.383292431e+02 1.417975062e+03 1.736168675e+03 1.58 6.736899784e+02 1.284475356e+03 1.570200511e+03 1.60 6.160240008e+02 1.166213758e+03 1.423387605e+03 1.62 5.644557756e+02 1.061178661e+03 1.293166120e+03 1.64 5.182397317e+02 9.676711402e+02 1.177428110e+03 1.66 4.766988200e+02 8.842511505e+02 1.074310470e+03 1.68 4.392774088e+02 8.097062397e+02 9.822359325e+02 1.70 4.054902510e+02 7.428816092e+02 8.998980353e+02 1.72 3.749076225e+02 6.828485265e+02 8.260418934e+02 1.74 3.471679301e+02 6.288056657e+02 7.596509346e+02 1.76 3.219684271e+02 5.800686436e+02 6.998795128e+02 1.78 2.990083185e+02 5.360039714e+02 6.459345857e+02 1.80 2.780470387e+02 4.960751529e+02 5.971326195e+02 1.82 2.588774081e+02 4.598228592e+02 5.528972242e+02 1.84 2.413126606e+02 4.268482340e+02 5.127381508e+02 1.86 2.251884161e+02 3.968046455e+02 4.761883890e+02 1.88 2.103606619e+02 3.693658519e+02 4.428647043e+02 1.90 1.967066336e+02 3.442589278e+02 4.124254628e+02 1.92 1.841150178e+02 3.212442341e+02 3.845821835e+02 1.94 1.724835170e+02 3.001114008e+02 3.590625207e+02 1.96 1.617235524e+02 2.806748802e+02 3.356290500e+02 1.98 1.517560425e+02 2.627806294e+02 3.140764103e+02 2.00 1.425114936e+02 2.462779814e+02 2.942212970e+02 2.02 1.339261842e+02 2.310298932e+02 2.759121126e+02 2.04 1.259419211e+02 2.169228308e+02 2.589921837e+02 2.06 1.185074103e+02 2.038540995e+02 2.433311486e+02 2.08 1.115765945e+02 1.917310764e+02 2.288169779e+02 2.10 1.051060903e+02 1.804712843e+02 2.153475958e+02 2.12 9.906250684e+01 1.700022379e+02 2.028309114e+02 2.14 9.340876772e+01 1.602573271e+02 1.911878420e+02 2.16 8.811416245e+01 1.511704152e+02 1.803419579e+02 2.18 8.314983739e+01 1.426878094e+02 1.702264915e+02 2.20 7.849164903e+01 1.347611495e+02 1.607817573e+02 2.22 7.411682805e+01 1.273458900e+02 1.519529153e+02 2.24 7.000464522e+01 1.204008832e+02 1.436918568e+02 2.26 6.613688233e+01 1.138899060e+02 1.359562517e+02 2.28 6.249489707e+01 1.077805840e+02 1.287066708e+02 2.30 5.906301106e+01 1.020438055e+02 1.219030323e+02 2.32 5.582710441e+01 9.665121530e+01 1.155117445e+02 2.34 5.277424005e+01 9.157705296e+01 1.095017577e+02 2.36 4.989258833e+01 8.679801941e+01 1.038467285e+02 2.38 4.717104685e+01 8.229318345e+01 9.852067040e+01 2.40 4.459913890e+01 7.804335574e+01 9.350007799e+01 2.42 4.216962283e+01 7.403089138e+01 8.876350854e+01 2.44 3.987313179e+01 7.023966674e+01 8.429409697e+01 2.46 3.770047374e+01 6.665389432e+01 8.006973796e+01 2.48 3.564588228e+01 6.326122002e+01 7.607511329e+01 2.50 3.370289492e+01 6.004914715e+01 7.229529086e+01 2.52 3.186514199e+01 5.700603935e+01 6.871531067e+01 2.54 3.012666478e+01 5.412197985e+01 6.532381145e+01 2.56 2.848187149e+01 5.138654901e+01 6.210934518e+01 2.58 2.692549852e+01 4.879131721e+01 5.906122518e+01 2.60 2.545226574e+01 4.632649488e+01 5.616927707e+01 2.62 2.405792377e+01 4.398499026e+01 5.342440907e+01 2.64 2.273810831e+01 4.176054516e+01 5.081845847e+01 2.66 2.148848169e+01 3.964659285e+01 4.834349348e+01 2.68 2.030483573e+01 3.763725309e+01 4.599178890e+01 2.70 1.918322000e+01 3.572702390e+01 4.375645200e+01 2.72 1.812078904e+01 3.391082858e+01 4.163106696e+01 2.74 1.711417234e+01 3.218387473e+01 3.960953210e+01 2.76 1.616023819e+01 3.054173125e+01 3.768618266e+01 2.78 1.525607021e+01 2.898024847e+01 3.585483366e+01 2.80 1.439895570e+01 2.749548915e+01 3.411111523e+01 2.82 1.358637339e+01 2.608352418e+01 3.245100099e+01 2.84 1.281598071e+01 2.474112817e+01 3.086999782e+01 2.86 1.208560041e+01 2.346458942e+01 2.936391169e+01 2.88 1.139323176e+01 2.225154480e+01 2.792883386e+01 2.90 1.073696196e+01 2.109892253e+01 2.656109587e+01 2.92 1.011500312e+01 2.000358032e+01 2.525742455e+01 2.94 9.525723303e+00 1.896210113e+01 2.401459904e+01 2.96 8.967567959e+00 1.797297974e+01 2.282942764e+01 2.98 8.439068944e+00 1.703374635e+01 2.169905915e+01 3.00 7.938819811e+00 1.614193001e+01 2.062073798e+01 3.02 7.465485762e+00 1.529516714e+01 1.959206047e+01 3.04 7.017786543e+00 1.449119330e+01 1.861089288e+01 3.06 6.594489074e+00 1.372783668e+01 1.767500290e+01 3.08 6.194401495e+00 1.300301319e+01 1.678231142e+01 3.10 5.816368604e+00 1.231472309e+01 1.593080272e+01 3.12 5.458934582e+00 1.166104884e+01 1.511860347e+01 3.14 5.121057831e+00 1.104015703e+01 1.434394050e+01 3.16 4.802067605e+00 1.045029597e+01 1.360513382e+01 3.18 4.500965271e+00 9.889675953e+00 1.290059021e+01 3.20 4.216724438e+00 9.356711463e+00 1.222879738e+01 3.22 3.948356919e+00 8.850058644e+00 1.158831846e+01 3.24 3.694895419e+00 8.368279203e+00 1.097736713e+01 3.26 3.455460634e+00 7.910006348e+00 1.039469541e+01 3.28 3.229109317e+00 7.473969376e+00 9.839437558e+00 3.30 3.014869082e+00 7.058980945e+00 9.310098055e+00 3.32 2.812257809e+00 6.663932211e+00 8.806240184e+00 3.34 2.620522177e+00 6.287794477e+00 8.326575024e+00 3.36 2.438958876e+00 5.929619225e+00 7.870007672e+00 3.38 2.266914266e+00 5.588523504e+00 7.435496218e+00 3.40 2.103783633e+00 5.263722982e+00 7.022040729e+00 3.42 1.949010009e+00 4.954425582e+00 6.628679221e+00 3.44 1.802082575e+00 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6.901457050e-02 1.175134271e+00 1.771301962e+00 3.84 1.889212085e-02 1.071925639e+00 1.632171436e+00 3.86 -2.818868933e-02 9.741003751e-01 1.499766741e+00 3.88 -7.236073806e-02 8.814858148e-01 1.373813539e+00 3.90 -1.137540041e-01 7.937598993e-01 1.254054691e+00 3.92 -1.526299933e-01 7.106215594e-01 1.140259758e+00 3.94 -1.893384611e-01 6.317905180e-01 1.032196404e+00 3.96 -2.235180984e-01 5.569955905e-01 9.296488830e-01 3.98 -2.553092350e-01 4.859616390e-01 8.324157991e-01 4.00 -2.848443651e-01 4.185257758e-01 7.403043205e-01 4.02 -3.122484285e-01 3.544835640e-01 6.531284705e-01 4.04 -3.376390860e-01 2.936480653e-01 5.707076467e-01 4.06 -3.611266690e-01 2.358490543e-01 4.928664604e-01 4.08 -3.828153084e-01 1.809308662e-01 4.194308170e-01 4.10 -4.028026279e-01 1.287517618e-01 3.502290903e-01 4.12 -4.211798581e-01 7.918279570e-02 2.850920350e-01 4.14 -4.380322860e-01 3.210632476e-02 2.238517811e-01 4.16 -4.534395165e-01 -1.258525329e-02 1.663416371e-01 4.18 -4.674757340e-01 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