# 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 = AlNiPd2 # 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 1.902888300e+02 1.902888300e+02 1.30 1.761691450e+02 1.761691450e+02 1.32 1.630768670e+02 1.630768670e+02 1.34 1.509327558e+02 1.509327558e+02 1.36 1.396643623e+02 1.396643623e+02 1.38 1.292037383e+02 1.292037383e+02 1.40 1.194867833e+02 1.194867833e+02 1.42 1.104537246e+02 1.104537246e+02 1.44 1.020500975e+02 1.020500975e+02 1.46 9.422771181e+01 9.422771181e+01 1.48 8.694469571e+01 8.694469571e+01 1.50 8.016406670e+01 8.016406670e+01 1.52 7.385153127e+01 7.385153127e+01 1.54 6.797382684e+01 6.797382684e+01 1.56 6.249823935e+01 6.249823935e+01 1.58 5.739302302e+01 5.739302302e+01 1.60 5.262821720e+01 5.262821720e+01 1.62 4.817652912e+01 4.817652912e+01 1.64 4.403382389e+01 4.403382389e+01 1.66 4.019630006e+01 4.019630006e+01 1.68 3.664393873e+01 3.664393873e+01 1.70 3.335799586e+01 3.335799586e+01 1.72 3.031993028e+01 3.031993028e+01 1.74 2.751187821e+01 2.751187821e+01 1.76 2.491674185e+01 2.491674185e+01 1.78 2.251850056e+01 2.251850056e+01 1.80 2.030244781e+01 2.030244781e+01 1.82 1.825521993e+01 1.825521993e+01 1.84 1.636463921e+01 1.636463921e+01 1.86 1.461945985e+01 1.461945985e+01 1.88 1.300911299e+01 1.300911299e+01 1.90 1.152353933e+01 1.152353933e+01 1.92 1.015316521e+01 1.015316521e+01 1.94 8.889007710e+00 8.889007710e+00 1.96 7.722824609e+00 7.722824609e+00 1.98 6.647205459e+00 6.647205459e+00 2.00 5.655544929e+00 5.655544929e+00 2.02 4.741914481e+00 4.741914481e+00 2.04 3.900899333e+00 3.900899333e+00 2.06 3.127464232e+00 3.127464232e+00 2.08 2.416873947e+00 2.416873947e+00 2.10 1.764661426e+00 1.764661426e+00 2.12 1.166624114e+00 1.166624114e+00 2.14 6.188308100e-01 6.188308100e-01 2.16 1.176277718e-01 1.176277718e-01 2.18 -3.403608223e-01 -3.403608223e-01 2.20 -7.582386499e-01 -7.582386499e-01 2.22 -1.138848405e+00 -1.138848405e+00 2.24 -1.484787669e+00 -1.484787669e+00 2.26 -1.798429464e+00 -1.798429464e+00 2.28 -2.081947960e+00 -2.081947960e+00 2.30 -2.337349364e+00 -2.337349364e+00 2.32 -2.566506058e+00 -2.566506058e+00 2.34 -2.771188412e+00 -2.771188412e+00 2.36 -2.953087534e+00 -2.953087534e+00 2.38 -3.113825188e+00 -3.113825188e+00 2.40 -3.254953820e+00 -3.254953820e+00 2.42 -3.377954395e+00 -3.377954395e+00 2.44 -3.484238841e+00 -3.484238841e+00 2.46 -3.575158002e+00 -3.575158002e+00 2.48 -3.652009838e+00 -3.652009838e+00 2.50 -3.716041567e+00 -3.716041567e+00 2.52 -3.768439819e+00 -3.768439819e+00 2.54 -3.810321716e+00 -3.810321716e+00 2.56 -3.842726686e+00 -3.842726686e+00 2.58 -3.866920169e+00 -3.866920169e+00 2.60 -3.884249123e+00 -3.884249123e+00 2.62 -3.895180827e+00 -3.895180827e+00 2.64 -3.900499639e+00 -3.900499639e+00 2.66 -3.900997617e+00 -3.900997617e+00 2.68 -3.896656184e+00 -3.896656184e+00 2.70 -3.887497911e+00 -3.887497911e+00 2.72 -3.873583652e+00 -3.873583652e+00 2.74 -3.855010632e+00 -3.855010632e+00 2.76 -3.831961049e+00 -3.831961049e+00 2.78 -3.804642621e+00 -3.804642621e+00 2.80 -3.773260890e+00 -3.773260890e+00 2.82 -3.738034591e+00 -3.738034591e+00 2.84 -3.699195298e+00 -3.699195298e+00 2.86 -3.656986152e+00 -3.656986152e+00 2.88 -3.611668012e+00 -3.611668012e+00 2.90 -3.563522692e+00 -3.563522692e+00 2.92 -3.512851498e+00 -3.512851498e+00 2.94 -3.459968813e+00 -3.459968813e+00 2.96 -3.405192305e+00 -3.405192305e+00 2.98 -3.348832730e+00 -3.348832730e+00 3.00 -3.291186284e+00 -3.291186284e+00 3.02 -3.232531009e+00 -3.232531009e+00 3.04 -3.173126649e+00 -3.173126649e+00 3.06 -3.113215832e+00 -3.113215832e+00 3.08 -3.053024115e+00 -3.053024115e+00 3.10 -2.992757820e+00 -2.992757820e+00 3.12 -2.932599984e+00 -2.932599984e+00 3.14 -2.872706161e+00 -2.872706161e+00 3.16 -2.813201758e+00 -2.813201758e+00 3.18 -2.754182158e+00 -2.754182158e+00 3.20 -2.695715547e+00 -2.695715547e+00 3.22 -2.637847720e+00 -2.637847720e+00 3.24 -2.580607752e+00 -2.580607752e+00 3.26 -2.524013539e+00 -2.524013539e+00 3.28 -2.468076535e+00 -2.468076535e+00 3.30 -2.412805387e+00 -2.412805387e+00 3.32 -2.358208430e+00 -2.358208430e+00 3.34 -2.304295167e+00 -2.304295167e+00 3.36 -2.251076910e+00 -2.251076910e+00 3.38 -2.198566795e+00 -2.198566795e+00 3.40 -2.146779357e+00 -2.146779357e+00 3.42 -2.095729834e+00 -2.095729834e+00 3.44 -2.045433336e+00 -2.045433336e+00 3.46 -1.995904013e+00 -1.995904013e+00 3.48 -1.947154296e+00 -1.947154296e+00 3.50 -1.899194270e+00 -1.899194270e+00 3.52 -1.852031205e+00 -1.852031205e+00 3.54 -1.805669248e+00 -1.805669248e+00 3.56 -1.760109248e+00 -1.760109248e+00 3.58 -1.715348692e+00 -1.715348692e+00 3.60 -1.671381713e+00 -1.671381713e+00 3.62 -1.628199157e+00 -1.628199157e+00 3.64 -1.585788721e+00 -1.585788721e+00 3.66 -1.544135161e+00 -1.544135161e+00 3.68 -1.503220642e+00 -1.503220642e+00 3.70 -1.463025250e+00 -1.463025250e+00 3.72 -1.423527697e+00 -1.423527697e+00 3.74 -1.384706243e+00 -1.384706243e+00 3.76 -1.346539763e+00 -1.346539763e+00 3.78 -1.309008891e+00 -1.309008891e+00 3.80 -1.272097080e+00 -1.272097080e+00 3.82 -1.235791425e+00 -1.235791425e+00 3.84 -1.200083069e+00 -1.200083069e+00 3.86 -1.164967091e+00 -1.164967091e+00 3.88 -1.130441838e+00 -1.130441838e+00 3.90 -1.096507814e+00 -1.096507814e+00 3.92 -1.063166307e+00 -1.063166307e+00 3.94 -1.030418085e+00 -1.030418085e+00 3.96 -9.982623597e-01 -9.982623597e-01 3.98 -9.666963243e-01 -9.666963243e-01 4.00 -9.357152735e-01 -9.357152735e-01 4.02 -9.053132704e-01 -9.053132704e-01 4.04 -8.754841637e-01 -8.754841637e-01 4.06 -8.462226978e-01 -8.462226978e-01 4.08 -8.175254572e-01 -8.175254572e-01 4.10 -7.893914337e-01 -7.893914337e-01 4.12 -7.618221702e-01 -7.618221702e-01 4.14 -7.348213552e-01 -7.348213552e-01 4.16 -7.083941801e-01 -7.083941801e-01 4.18 -6.825464972e-01 -6.825464972e-01 4.20 -6.572840407e-01 -6.572840407e-01 4.22 -6.326118610e-01 -6.326118610e-01 4.24 -6.085340521e-01 -6.085340521e-01 4.26 -5.850537533e-01 -5.850537533e-01 4.28 -5.621733263e-01 -5.621733263e-01 4.30 -5.398945677e-01 -5.398945677e-01 4.32 -5.182188205e-01 -5.182188205e-01 4.34 -4.971468994e-01 -4.971468994e-01 4.36 -4.766788093e-01 -4.766788093e-01 4.38 -4.568132994e-01 -4.568132994e-01 4.40 -4.375473359e-01 -4.375473359e-01 4.42 -4.188755804e-01 -4.188755804e-01 4.44 -4.007899471e-01 -4.007899471e-01 4.46 -3.832792812e-01 -3.832792812e-01 4.48 -3.663291805e-01 -3.663291805e-01 4.50 -3.499219696e-01 -3.499219696e-01 4.52 -3.340368423e-01 -3.340368423e-01 4.54 -3.186501960e-01 -3.186501960e-01 4.56 -3.037361813e-01 -3.037361813e-01 4.58 -2.892674839e-01 -2.892674839e-01 4.60 -2.752163238e-01 -2.752163238e-01 4.62 -2.615556234e-01 -2.615556234e-01 4.64 -2.482602564e-01 -2.482602564e-01 4.66 -2.353082630e-01 -2.353082630e-01 4.68 -2.226819045e-01 -2.226819045e-01 4.70 -2.103684401e-01 -2.103684401e-01 4.72 -1.983605385e-01 -1.983605385e-01 4.74 -1.866562791e-01 -1.866562791e-01 4.76 -1.752587517e-01 -1.752587517e-01 4.78 -1.641753147e-01 -1.641753147e-01 4.80 -1.534166097e-01 -1.534166097e-01 4.82 -1.429954954e-01 -1.429954954e-01 4.84 -1.329259424e-01 -1.329259424e-01 4.86 -1.232221216e-01 -1.232221216e-01 4.88 -1.138976630e-01 -1.138976630e-01 4.90 -1.049651507e-01 -1.049651507e-01 4.92 -9.643580672e-02 -9.643580672e-02 4.94 -8.831931938e-02 -8.831931938e-02 4.96 -8.062372586e-02 -8.062372586e-02 4.98 -7.335530272e-02 -7.335530272e-02 5.00 -6.651840044e-02 -6.651840044e-02 5.02 -6.011520359e-02 -6.011520359e-02 5.04 -5.414519109e-02 -5.414519109e-02 5.06 -4.860514185e-02 -4.860514185e-02 5.08 -4.348940241e-02 -4.348940241e-02 5.10 -3.878902254e-02 -3.878902254e-02 5.12 -3.449179445e-02 -3.449179445e-02 5.14 -3.058246851e-02 -3.058246851e-02 5.16 -2.704309283e-02 -2.704309283e-02 5.18 -2.385347429e-02 -2.385347429e-02 5.20 -2.099170436e-02 -2.099170436e-02 5.22 -1.843471711e-02 -1.843471711e-02 5.24 -1.615885420e-02 -1.615885420e-02 5.26 -1.414038202e-02 -1.414038202e-02 5.28 -1.235579189e-02 -1.235579189e-02 5.30 -1.078260340e-02 -1.078260340e-02 5.32 -9.399469503e-03 -9.399469503e-03 5.34 -8.186288861e-03 -8.186288861e-03 5.36 -7.124365209e-03 -7.124365209e-03 5.38 -6.196493812e-03 -6.196493812e-03 5.40 -5.386988140e-03 -5.386988140e-03 5.42 -4.681659879e-03 -4.681659879e-03 5.44 -4.067764337e-03 -4.067764337e-03 5.46 -3.533921800e-03 -3.533921800e-03 5.48 -3.070023588e-03 -3.070023588e-03 5.50 -2.667129847e-03 -2.667129847e-03 5.52 -2.317364442e-03 -2.317364442e-03 5.54 -2.013810968e-03 -2.013810968e-03 5.56 -1.750412637e-03 -1.750412637e-03 5.58 -1.521877918e-03 -1.521877918e-03 5.60 -1.323593023e-03 -1.323593023e-03 5.62 -1.151541787e-03 -1.151541787e-03 5.64 -1.002233086e-03 -1.002233086e-03 5.66 -8.726356338e-04 -8.726356338e-04 5.68 -7.601198338e-04 -7.601198338e-04 5.70 -6.624062076e-04 -6.624062076e-04 5.72 -5.775198939e-04 -5.775198939e-04 5.74 -5.037506575e-04 -5.037506575e-04 5.76 -4.396178634e-04 -4.396178634e-04 5.78 -3.838398861e-04 -3.838398861e-04 5.80 -3.353074572e-04 -3.353074572e-04 5.82 -2.930604873e-04 -2.930604873e-04 5.84 -2.562679449e-04 -2.562679449e-04 5.86 -2.242104107e-04 -2.242104107e-04 5.88 -1.962649681e-04 -1.962649681e-04 5.90 -1.718921300e-04 -1.718921300e-04 5.92 -1.506245327e-04 -1.506245327e-04 5.94 -1.320571659e-04 -1.320571659e-04 5.96 -1.158389307e-04 -1.158389307e-04 5.98 -1.016653491e-04 -1.016653491e-04 6.00 -8.927226800e-05 -8.927226800e-05