# 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 = AgFeMg2 # 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 3.122675956e+02 3.122675956e+02 1.30 2.880292383e+02 2.880292383e+02 1.32 2.656990393e+02 2.656990393e+02 1.34 2.451161350e+02 2.451161350e+02 1.36 2.261345734e+02 2.261345734e+02 1.38 2.086226882e+02 2.086226882e+02 1.40 1.924616236e+02 1.924616236e+02 1.42 1.775434080e+02 1.775434080e+02 1.44 1.637692421e+02 1.637692421e+02 1.46 1.510483725e+02 1.510483725e+02 1.48 1.392975462e+02 1.392975462e+02 1.50 1.284407164e+02 1.284407164e+02 1.52 1.184085968e+02 1.184085968e+02 1.54 1.091379113e+02 1.091379113e+02 1.56 1.005705732e+02 1.005705732e+02 1.58 9.265308541e+01 9.265308541e+01 1.60 8.533747087e+01 8.533747087e+01 1.62 7.857794253e+01 7.857794253e+01 1.64 7.233190426e+01 7.233190426e+01 1.66 6.655995359e+01 6.655995359e+01 1.68 6.122547710e+01 6.122547710e+01 1.70 5.629453453e+01 5.629453453e+01 1.72 5.173579182e+01 5.173579182e+01 1.74 4.752043912e+01 4.752043912e+01 1.76 4.362206367e+01 4.362206367e+01 1.78 4.001649763e+01 4.001649763e+01 1.80 3.668164739e+01 3.668164739e+01 1.82 3.359730857e+01 3.359730857e+01 1.84 3.074496279e+01 3.074496279e+01 1.86 2.810758989e+01 2.810758989e+01 1.88 2.566949140e+01 2.566949140e+01 1.90 2.341612829e+01 2.341612829e+01 1.92 2.133396741e+01 2.133396741e+01 1.94 1.941034922e+01 1.941034922e+01 1.96 1.763339529e+01 1.763339529e+01 1.98 1.599196896e+01 1.599196896e+01 2.00 1.447567632e+01 1.447567632e+01 2.02 1.307488227e+01 1.307488227e+01 2.04 1.178072037e+01 1.178072037e+01 2.06 1.058507953e+01 1.058507953e+01 2.08 9.480560915e+00 9.480560915e+00 2.10 8.460413707e+00 8.460413707e+00 2.12 7.518461543e+00 7.518461543e+00 2.14 6.649032186e+00 6.649032186e+00 2.16 5.846897818e+00 5.846897818e+00 2.18 5.107223674e+00 5.107223674e+00 2.20 4.425527341e+00 4.425527341e+00 2.22 3.797644168e+00 3.797644168e+00 2.24 3.219703028e+00 3.219703028e+00 2.26 2.688109883e+00 2.688109883e+00 2.28 2.199533674e+00 2.199533674e+00 2.30 1.750896186e+00 1.750896186e+00 2.32 1.339352250e+00 1.339352250e+00 2.34 9.622730397e-01 9.622730397e-01 2.36 6.172227092e-01 6.172227092e-01 2.38 3.019380857e-01 3.019380857e-01 2.40 1.430970871e-02 1.430970871e-02 2.42 -2.476355844e-01 -2.476355844e-01 2.44 -4.857480695e-01 -4.857480695e-01 2.46 -7.017673859e-01 -7.017673859e-01 2.48 -8.973312242e-01 -8.973312242e-01 2.50 -1.073985371e+00 -1.073985371e+00 2.52 -1.233179131e+00 -1.233179131e+00 2.54 -1.376273916e+00 -1.376273916e+00 2.56 -1.504550452e+00 -1.504550452e+00 2.58 -1.619211318e+00 -1.619211318e+00 2.60 -1.721382189e+00 -1.721382189e+00 2.62 -1.812110737e+00 -1.812110737e+00 2.64 -1.892446416e+00 -1.892446416e+00 2.66 -1.963246324e+00 -1.963246324e+00 2.68 -2.025034637e+00 -2.025034637e+00 2.70 -2.078296299e+00 -2.078296299e+00 2.72 -2.123492613e+00 -2.123492613e+00 2.74 -2.161063590e+00 -2.161063590e+00 2.76 -2.191433881e+00 -2.191433881e+00 2.78 -2.215024113e+00 -2.215024113e+00 2.80 -2.232265376e+00 -2.232265376e+00 2.82 -2.243588433e+00 -2.243588433e+00 2.84 -2.249424093e+00 -2.249424093e+00 2.86 -2.250202086e+00 -2.250202086e+00 2.88 -2.246347927e+00 -2.246347927e+00 2.90 -2.238278206e+00 -2.238278206e+00 2.92 -2.226395318e+00 -2.226395318e+00 2.94 -2.211082740e+00 -2.211082740e+00 2.96 -2.192701689e+00 -2.192701689e+00 2.98 -2.171589568e+00 -2.171589568e+00 3.00 -2.148060062e+00 -2.148060062e+00 3.02 -2.122404295e+00 -2.122404295e+00 3.04 -2.094930260e+00 -2.094930260e+00 3.06 -2.065878823e+00 -2.065878823e+00 3.08 -2.035427193e+00 -2.035427193e+00 3.10 -2.003743012e+00 -2.003743012e+00 3.12 -1.970981664e+00 -1.970981664e+00 3.14 -1.937287203e+00 -1.937287203e+00 3.16 -1.902789927e+00 -1.902789927e+00 3.18 -1.867570006e+00 -1.867570006e+00 3.20 -1.831613345e+00 -1.831613345e+00 3.22 -1.794916759e+00 -1.794916759e+00 3.24 -1.757506750e+00 -1.757506750e+00 3.26 -1.719441440e+00 -1.719441440e+00 3.28 -1.680810332e+00 -1.680810332e+00 3.30 -1.641731289e+00 -1.641731289e+00 3.32 -1.602344691e+00 -1.602344691e+00 3.34 -1.562805384e+00 -1.562805384e+00 3.36 -1.523273511e+00 -1.523273511e+00 3.38 -1.483905546e+00 -1.483905546e+00 3.40 -1.444846594e+00 -1.444846594e+00 3.42 -1.406225276e+00 -1.406225276e+00 3.44 -1.368149877e+00 -1.368149877e+00 3.46 -1.330707713e+00 -1.330707713e+00 3.48 -1.293965582e+00 -1.293965582e+00 3.50 -1.257971489e+00 -1.257971489e+00 3.52 -1.222757033e+00 -1.222757033e+00 3.54 -1.188340057e+00 -1.188340057e+00 3.56 -1.154727292e+00 -1.154727292e+00 3.58 -1.121916792e+00 -1.121916792e+00 3.60 -1.089900074e+00 -1.089900074e+00 3.62 -1.058663917e+00 -1.058663917e+00 3.64 -1.028191831e+00 -1.028191831e+00 3.66 -9.984652430e-01 -9.984652430e-01 3.68 -9.694644372e-01 -9.694644372e-01 3.70 -9.411693203e-01 -9.411693203e-01 3.72 -9.135600536e-01 -9.135600536e-01 3.74 -8.866175919e-01 -8.866175919e-01 3.76 -8.603241474e-01 -8.603241474e-01 3.78 -8.346635706e-01 -8.346635706e-01 3.80 -8.096216253e-01 -8.096216253e-01 3.82 -7.851861125e-01 -7.851861125e-01 3.84 -7.613468029e-01 -7.613468029e-01 3.86 -7.380951499e-01 -7.380951499e-01 3.88 -7.154237946e-01 -7.154237946e-01 3.90 -6.933259160e-01 -6.933259160e-01 3.92 -6.717943081e-01 -6.717943081e-01 3.94 -6.508216452e-01 -6.508216452e-01 3.96 -6.303985534e-01 -6.303985534e-01 3.98 -6.105143790e-01 -6.105143790e-01 4.00 -5.911569045e-01 -5.911569045e-01 4.02 -5.723125457e-01 -5.723125457e-01 4.04 -5.539666971e-01 -5.539666971e-01 4.06 -5.361041559e-01 -5.361041559e-01 4.08 -5.187095686e-01 -5.187095686e-01 4.10 -5.017672296e-01 -5.017672296e-01 4.12 -4.852641437e-01 -4.852641437e-01 4.14 -4.691861726e-01 -4.691861726e-01 4.16 -4.535213310e-01 -4.535213310e-01 4.18 -4.382592679e-01 -4.382592679e-01 4.20 -4.233914894e-01 -4.233914894e-01 4.22 -4.089115137e-01 -4.089115137e-01 4.24 -3.948149327e-01 -3.948149327e-01 4.26 -3.810993579e-01 -3.810993579e-01 4.28 -3.677642247e-01 -3.677642247e-01 4.30 -3.548104464e-01 -3.548104464e-01 4.32 -3.422399229e-01 -3.422399229e-01 4.34 -3.300549312e-01 -3.300549312e-01 4.36 -3.182574480e-01 -3.182574480e-01 4.38 -3.068484684e-01 -3.068484684e-01 4.40 -2.958273914e-01 -2.958273914e-01 4.42 -2.851915374e-01 -2.851915374e-01 4.44 -2.749358403e-01 -2.749358403e-01 4.46 -2.650527372e-01 -2.650527372e-01 4.48 -2.555322453e-01 -2.555322453e-01 4.50 -2.463621977e-01 -2.463621977e-01 4.52 -2.375285929e-01 -2.375285929e-01 4.54 -2.290160086e-01 -2.290160086e-01 4.56 -2.208080341e-01 -2.208080341e-01 4.58 -2.128876854e-01 -2.128876854e-01 4.60 -2.052377789e-01 -2.052377789e-01 4.62 -1.978412515e-01 -1.978412515e-01 4.64 -1.906814248e-01 -1.906814248e-01 4.66 -1.837422194e-01 -1.837422194e-01 4.68 -1.770083285e-01 -1.770083285e-01 4.70 -1.704653621e-01 -1.704653621e-01 4.72 -1.640999738e-01 -1.640999738e-01 4.74 -1.578999781e-01 -1.578999781e-01 4.76 -1.518544668e-01 -1.518544668e-01 4.78 -1.459539265e-01 -1.459539265e-01 4.80 -1.401899592e-01 -1.401899592e-01 4.82 -1.345570547e-01 -1.345570547e-01 4.84 -1.290500877e-01 -1.290500877e-01 4.86 -1.236662191e-01 -1.236662191e-01 4.88 -1.184044500e-01 -1.184044500e-01 4.90 -1.132656014e-01 -1.132656014e-01 4.92 -1.082522235e-01 -1.082522235e-01 4.94 -1.033684205e-01 -1.033684205e-01 4.96 -9.861958909e-02 -9.861958909e-02 4.98 -9.401207122e-02 -9.401207122e-02 5.00 -8.955273758e-02 -8.955273758e-02 5.02 -8.524852519e-02 -8.524852519e-02 5.04 -8.110596254e-02 -8.110596254e-02 5.06 -7.713069910e-02 -7.713069910e-02 5.08 -7.332711727e-02 -7.332711727e-02 5.10 -6.969802531e-02 -6.969802531e-02 5.12 -6.624445924e-02 -6.624445924e-02 5.14 -6.296560446e-02 -6.296560446e-02 5.16 -5.985883430e-02 -5.985883430e-02 5.18 -5.691983767e-02 -5.691983767e-02 5.20 -5.414210772e-02 -5.414210772e-02 5.22 -5.151870317e-02 -5.151870317e-02 5.24 -4.904228197e-02 -4.904228197e-02 5.26 -4.670480554e-02 -4.670480554e-02 5.28 -4.449787140e-02 -4.449787140e-02 5.30 -4.241300943e-02 -4.241300943e-02 5.32 -4.044193204e-02 -4.044193204e-02 5.34 -3.857673343e-02 -3.857673343e-02 5.36 -3.681003675e-02 -3.681003675e-02 5.38 -3.513509017e-02 -3.513509017e-02 5.40 -3.354581564e-02 -3.354581564e-02 5.42 -3.203681492e-02 -3.203681492e-02 5.44 -3.060333834e-02 -3.060333834e-02 5.46 -2.924122342e-02 -2.924122342e-02 5.48 -2.794681116e-02 -2.794681116e-02 5.50 -2.671684884e-02 -2.671684884e-02 5.52 -2.554838820e-02 -2.554838820e-02 5.54 -2.443868777e-02 -2.443868777e-02 5.56 -2.338512665e-02 -2.338512665e-02 5.58 -2.238513529e-02 -2.238513529e-02 5.60 -2.143614622e-02 -2.143614622e-02 5.62 -2.053556553e-02 -2.053556553e-02 5.64 -1.968076314e-02 -1.968076314e-02 5.66 -1.886907868e-02 -1.886907868e-02 5.68 -1.809783858e-02 -1.809783858e-02 5.70 -1.736437990e-02 -1.736437990e-02 5.72 -1.666607667e-02 -1.666607667e-02 5.74 -1.600036497e-02 -1.600036497e-02 5.76 -1.536471985e-02 -1.536471985e-02 5.78 -1.475674783e-02 -1.475674783e-02 5.80 -1.417420337e-02 -1.417420337e-02 5.82 -1.361496381e-02 -1.361496381e-02 5.84 -1.307703361e-02 -1.307703361e-02 5.86 -1.255854509e-02 -1.255854509e-02 5.88 -1.205775684e-02 -1.205775684e-02 5.90 -1.157305051e-02 -1.157305051e-02 5.92 -1.110292717e-02 -1.110292717e-02 5.94 -1.064600378e-02 -1.064600378e-02 5.96 -1.020101048e-02 -1.020101048e-02 5.98 -9.766789340e-03 -9.766789340e-03 6.00 -9.342294646e-03 -9.342294646e-03