# 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 = MgNiW2 # 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 L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 3.979760393e+02 3.979760393e+02 1.30 3.673954597e+02 3.673954597e+02 1.32 3.392051775e+02 3.392051775e+02 1.34 3.132000693e+02 3.132000693e+02 1.36 2.891899641e+02 2.891899641e+02 1.38 2.670006263e+02 2.670006263e+02 1.40 2.464750101e+02 2.464750101e+02 1.42 2.274737758e+02 2.274737758e+02 1.44 2.098744060e+02 2.098744060e+02 1.46 1.935689451e+02 1.935689451e+02 1.48 1.784611136e+02 1.784611136e+02 1.50 1.644637606e+02 1.644637606e+02 1.52 1.514972297e+02 1.514972297e+02 1.54 1.394885197e+02 1.394885197e+02 1.56 1.283706732e+02 1.283706732e+02 1.58 1.180820089e+02 1.180820089e+02 1.60 1.085652714e+02 1.085652714e+02 1.62 9.976692931e+01 9.976692931e+01 1.64 9.163667642e+01 9.163667642e+01 1.66 8.412702784e+01 8.412702784e+01 1.68 7.719294895e+01 7.719294895e+01 1.70 7.079154985e+01 7.079154985e+01 1.72 6.488188758e+01 6.488188758e+01 1.74 5.942491718e+01 5.942491718e+01 1.76 5.438360758e+01 5.438360758e+01 1.78 4.972329846e+01 4.972329846e+01 1.80 4.541302134e+01 4.541302134e+01 1.82 4.142374693e+01 4.142374693e+01 1.84 3.772913152e+01 3.772913152e+01 1.86 3.430593888e+01 3.430593888e+01 1.88 3.113378988e+01 3.113378988e+01 1.90 2.819490682e+01 2.819490682e+01 1.92 2.547381355e+01 2.547381355e+01 1.94 2.295661352e+01 2.295661352e+01 1.96 2.063050423e+01 2.063050423e+01 1.98 1.848341599e+01 1.848341599e+01 2.00 1.650377623e+01 1.650377623e+01 2.02 1.468036697e+01 1.468036697e+01 2.04 1.300224268e+01 1.300224268e+01 2.06 1.145869264e+01 1.145869264e+01 2.08 1.003924879e+01 1.003924879e+01 2.10 8.733747686e+00 8.733747686e+00 2.12 7.532447047e+00 7.532447047e+00 2.14 6.426179269e+00 6.426179269e+00 2.16 5.406508135e+00 5.406508135e+00 2.18 4.465845131e+00 4.465845131e+00 2.20 3.597495787e+00 3.597495787e+00 2.22 2.795625994e+00 2.795625994e+00 2.24 2.055166157e+00 2.055166157e+00 2.26 1.371680831e+00 1.371680831e+00 2.28 7.412306628e-01 7.412306628e-01 2.30 1.602486648e-01 1.602486648e-01 2.32 -3.745611850e-01 -3.745611850e-01 2.34 -8.662883537e-01 -8.662883537e-01 2.36 -1.317828067e+00 -1.317828067e+00 2.38 -1.731737244e+00 -1.731737244e+00 2.40 -2.110713670e+00 -2.110713670e+00 2.42 -2.457308861e+00 -2.457308861e+00 2.44 -2.773833696e+00 -2.773833696e+00 2.46 -3.062383125e+00 -3.062383125e+00 2.48 -3.324862893e+00 -3.324862893e+00 2.50 -3.563012467e+00 -3.563012467e+00 2.52 -3.778315286e+00 -3.778315286e+00 2.54 -3.971627555e+00 -3.971627555e+00 2.56 -4.143655432e+00 -4.143655432e+00 2.58 -4.295125466e+00 -4.295125466e+00 2.60 -4.426766098e+00 -4.426766098e+00 2.62 -4.539299019e+00 -4.539299019e+00 2.64 -4.633439258e+00 -4.633439258e+00 2.66 -4.709898410e+00 -4.709898410e+00 2.68 -4.769392368e+00 -4.769392368e+00 2.70 -4.812647444e+00 -4.812647444e+00 2.72 -4.840403939e+00 -4.840403939e+00 2.74 -4.853415555e+00 -4.853415555e+00 2.76 -4.852445288e+00 -4.852445288e+00 2.78 -4.838257605e+00 -4.838257605e+00 2.80 -4.811614325e+00 -4.811614325e+00 2.82 -4.773275506e+00 -4.773275506e+00 2.84 -4.724006203e+00 -4.724006203e+00 2.86 -4.664589419e+00 -4.664589419e+00 2.88 -4.595844011e+00 -4.595844011e+00 2.90 -4.518643762e+00 -4.518643762e+00 2.92 -4.433922960e+00 -4.433922960e+00 2.94 -4.342601463e+00 -4.342601463e+00 2.96 -4.245644589e+00 -4.245644589e+00 2.98 -4.144103319e+00 -4.144103319e+00 3.00 -4.039080956e+00 -4.039080956e+00 3.02 -3.931689084e+00 -3.931689084e+00 3.04 -3.822997820e+00 -3.822997820e+00 3.06 -3.713986968e+00 -3.713986968e+00 3.08 -3.605502397e+00 -3.605502397e+00 3.10 -3.498225449e+00 -3.498225449e+00 3.12 -3.392656110e+00 -3.392656110e+00 3.14 -3.289113298e+00 -3.289113298e+00 3.16 -3.187745503e+00 -3.187745503e+00 3.18 -3.088555414e+00 -3.088555414e+00 3.20 -2.991429226e+00 -2.991429226e+00 3.22 -2.896169220e+00 -2.896169220e+00 3.24 -2.802526167e+00 -2.802526167e+00 3.26 -2.710229417e+00 -2.710229417e+00 3.28 -2.619013390e+00 -2.619013390e+00 3.30 -2.528639858e+00 -2.528639858e+00 3.32 -2.438915903e+00 -2.438915903e+00 3.34 -2.349707731e+00 -2.349707731e+00 3.36 -2.260950560e+00 -2.260950560e+00 3.38 -2.172691252e+00 -2.172691252e+00 3.40 -2.084981727e+00 -2.084981727e+00 3.42 -1.997867342e+00 -1.997867342e+00 3.44 -1.911490704e+00 -1.911490704e+00 3.46 -1.826002271e+00 -1.826002271e+00 3.48 -1.741354599e+00 -1.741354599e+00 3.50 -1.657593053e+00 -1.657593053e+00 3.52 -1.574916055e+00 -1.574916055e+00 3.54 -1.493639382e+00 -1.493639382e+00 3.56 -1.414153735e+00 -1.414153735e+00 3.58 -1.336880349e+00 -1.336880349e+00 3.60 -1.262229541e+00 -1.262229541e+00 3.62 -1.190566261e+00 -1.190566261e+00 3.64 -1.122185234e+00 -1.122185234e+00 3.66 -1.057296628e+00 -1.057296628e+00 3.68 -9.960216700e-01 -9.960216700e-01 3.70 -9.383965919e-01 -9.383965919e-01 3.72 -8.843826630e-01 -8.843826630e-01 3.74 -8.338799825e-01 -8.338799825e-01 3.76 -7.867428848e-01 -7.867428848e-01 3.78 -7.427952067e-01 -7.427952067e-01 3.80 -7.018441108e-01 -7.018441108e-01 3.82 -6.636915912e-01 -6.636915912e-01 3.84 -6.281431806e-01 -6.281431806e-01 3.86 -5.950137167e-01 -5.950137167e-01 3.88 -5.641303363e-01 -5.641303363e-01 3.90 -5.353331306e-01 -5.353331306e-01 3.92 -5.084739892e-01 -5.084739892e-01 3.94 -4.834150266e-01 -4.834150266e-01 3.96 -4.600256008e-01 -4.600256008e-01 3.98 -4.381808479e-01 -4.381808479e-01 4.00 -4.177602334e-01 -4.177602334e-01 4.02 -3.986469895e-01 -3.986469895e-01 4.04 -3.807282059e-01 -3.807282059e-01 4.06 -3.638953626e-01 -3.638953626e-01 4.08 -3.480450624e-01 -3.480450624e-01 4.10 -3.330793663e-01 -3.330793663e-01 4.12 -3.189079870e-01 -3.189079870e-01 4.14 -3.054460724e-01 -3.054460724e-01 4.16 -2.926161481e-01 -2.926161481e-01 4.18 -2.803465732e-01 -2.803465732e-01 4.20 -2.685742536e-01 -2.685742536e-01 4.22 -2.572428451e-01 -2.572428451e-01 4.24 -2.463019761e-01 -2.463019761e-01 4.26 -2.357074163e-01 -2.357074163e-01 4.28 -2.254212194e-01 -2.254212194e-01 4.30 -2.154118947e-01 -2.154118947e-01 4.32 -2.056546191e-01 -2.056546191e-01 4.34 -1.961314597e-01 -1.961314597e-01 4.36 -1.868315506e-01 -1.868315506e-01 4.38 -1.777511384e-01 -1.777511384e-01 4.40 -1.688934054e-01 -1.688934054e-01 4.42 -1.602679803e-01 -1.602679803e-01 4.44 -1.518900743e-01 -1.518900743e-01 4.46 -1.437792229e-01 -1.437792229e-01 4.48 -1.359576766e-01 -1.359576766e-01 4.50 -1.284485461e-01 -1.284485461e-01 4.52 -1.212738624e-01 -1.212738624e-01 4.54 -1.144527441e-01 -1.144527441e-01 4.56 -1.079998575e-01 -1.079998575e-01 4.58 -1.019243195e-01 -1.019243195e-01 4.60 -9.622912521e-02 -9.622912521e-02 4.62 -9.091110842e-02 -9.091110842e-02 4.64 -8.596137354e-02 -8.596137354e-02 4.66 -8.136608655e-02 -8.136608655e-02 4.68 -7.710748971e-02 -7.710748971e-02 4.70 -7.316500567e-02 -7.316500567e-02 4.72 -6.951631726e-02 -6.951631726e-02 4.74 -6.613833972e-02 -6.613833972e-02 4.76 -6.300803523e-02 -6.300803523e-02 4.78 -6.010304946e-02 -6.010304946e-02 4.80 -5.740196627e-02 -5.740196627e-02 4.82 -5.488546895e-02 -5.488546895e-02 4.84 -5.253515247e-02 -5.253515247e-02 4.86 -5.033452134e-02 -5.033452134e-02 4.88 -4.826876498e-02 -4.826876498e-02 4.90 -4.632466440e-02 -4.632466440e-02 4.92 -4.449048263e-02 -4.449048263e-02 4.94 -4.275583915e-02 -4.275583915e-02 4.96 -4.111157616e-02 -4.111157616e-02 4.98 -3.954962488e-02 -3.954962488e-02 5.00 -3.806287711e-02 -3.806287711e-02 5.02 -3.664506586e-02 -3.664506586e-02 5.04 -3.529065674e-02 -3.529065674e-02 5.06 -3.399475074e-02 -3.399475074e-02 5.08 -3.275299869e-02 -3.275299869e-02 5.10 -3.156152687e-02 -3.156152687e-02 5.12 -3.041687315e-02 -3.041687315e-02 5.14 -2.931593288e-02 -2.931593288e-02 5.16 -2.825591360e-02 -2.825591360e-02 5.18 -2.723429786e-02 -2.723429786e-02 5.20 -2.624881322e-02 -2.624881322e-02 5.22 -2.529740861e-02 -2.529740861e-02 5.24 -2.437823628e-02 -2.437823628e-02 5.26 -2.348963847e-02 -2.348963847e-02 5.28 -2.263013779e-02 -2.263013779e-02 5.30 -2.179843030e-02 -2.179843030e-02 5.32 -2.099338014e-02 -2.099338014e-02 5.34 -2.021401428e-02 -2.021401428e-02 5.36 -1.945948984e-02 -1.945948984e-02 5.38 -1.872912351e-02 -1.872912351e-02 5.40 -1.802239032e-02 -1.802239032e-02 5.42 -1.733888219e-02 -1.733888219e-02 5.44 -1.667828624e-02 -1.667828624e-02 5.46 -1.604035862e-02 -1.604035862e-02 5.48 -1.542489507e-02 -1.542489507e-02 5.50 -1.483169971e-02 -1.483169971e-02 5.52 -1.426055461e-02 -1.426055461e-02 5.54 -1.371119221e-02 -1.371119221e-02 5.56 -1.318327293e-02 -1.318327293e-02 5.58 -1.267636953e-02 -1.267636953e-02 5.60 -1.218995905e-02 -1.218995905e-02 5.62 -1.172342233e-02 -1.172342233e-02 5.64 -1.127605028e-02 -1.127605028e-02 5.66 -1.084705547e-02 -1.084705547e-02 5.68 -1.043558730e-02 -1.043558730e-02 5.70 -1.004074902e-02 -1.004074902e-02 5.72 -9.661614893e-03 -9.661614893e-03 5.74 -9.297246361e-03 -9.297246361e-03 5.76 -8.946706219e-03 -8.946706219e-03 5.78 -8.609070415e-03 -8.609070415e-03 5.80 -8.283437301e-03 -8.283437301e-03 5.82 -7.968934503e-03 -7.968934503e-03 5.84 -7.664723692e-03 -7.664723692e-03 5.86 -7.370003712e-03 -7.370003712e-03 5.88 -7.084012503e-03 -7.084012503e-03 5.90 -6.806028283e-03 -6.806028283e-03 5.92 -6.535370426e-03 -6.535370426e-03 5.94 -6.271400390e-03 -6.271400390e-03 5.96 -6.013523027e-03 -6.013523027e-03 5.98 -5.761188502e-03 -5.761188502e-03 6.00 -5.513895024e-03 -5.513895024e-03