# 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 = AlPb2Ta # 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 3.693328314e+02 3.693328314e+02 1.30 3.456627516e+02 3.456627516e+02 1.32 3.236217859e+02 3.236217859e+02 1.34 3.030853940e+02 3.030853940e+02 1.36 2.839340191e+02 2.839340191e+02 1.38 2.660545290e+02 2.660545290e+02 1.40 2.493427829e+02 2.493427829e+02 1.42 2.337056626e+02 2.337056626e+02 1.44 2.190616698e+02 2.190616698e+02 1.46 2.053401603e+02 2.053401603e+02 1.48 1.924795636e+02 1.924795636e+02 1.50 1.804249791e+02 1.804249791e+02 1.52 1.691257972e+02 1.691257972e+02 1.54 1.585340591e+02 1.585340591e+02 1.56 1.486036129e+02 1.486036129e+02 1.58 1.392899050e+02 1.392899050e+02 1.60 1.305502179e+02 1.305502179e+02 1.62 1.223442612e+02 1.223442612e+02 1.64 1.146347987e+02 1.146347987e+02 1.66 1.073880287e+02 1.073880287e+02 1.68 1.005734591e+02 1.005734591e+02 1.70 9.416328779e+01 9.416328779e+01 1.72 8.813163915e+01 8.813163915e+01 1.74 8.245400417e+01 8.245400417e+01 1.76 7.710858545e+01 7.710858545e+01 1.78 7.207623983e+01 7.207623983e+01 1.80 6.733575474e+01 6.733575474e+01 1.82 6.286916957e+01 6.286916957e+01 1.84 5.866904378e+01 5.866904378e+01 1.86 5.471978706e+01 5.471978706e+01 1.88 5.100514036e+01 5.100514036e+01 1.90 4.751049359e+01 4.751049359e+01 1.92 4.422281485e+01 4.422281485e+01 1.94 4.113058597e+01 4.113058597e+01 1.96 3.822368753e+01 3.822368753e+01 1.98 3.549319346e+01 3.549319346e+01 2.00 3.293102595e+01 3.293102595e+01 2.02 3.052951537e+01 3.052951537e+01 2.04 2.828098094e+01 2.828098094e+01 2.06 2.617746696e+01 2.617746696e+01 2.08 2.421069993e+01 2.421069993e+01 2.10 2.237222095e+01 2.237222095e+01 2.12 2.065361886e+01 2.065361886e+01 2.14 1.904675640e+01 1.904675640e+01 2.16 1.754394156e+01 1.754394156e+01 2.18 1.613802517e+01 1.613802517e+01 2.20 1.482242602e+01 1.482242602e+01 2.22 1.359111337e+01 1.359111337e+01 2.24 1.243855798e+01 1.243855798e+01 2.26 1.135966949e+01 1.135966949e+01 2.28 1.034973359e+01 1.034973359e+01 2.30 9.404348107e+00 9.404348107e+00 2.32 8.519373617e+00 8.519373617e+00 2.34 7.690905463e+00 7.690905463e+00 2.36 6.915252566e+00 6.915252566e+00 2.38 6.188934862e+00 6.188934862e+00 2.40 5.508686974e+00 5.508686974e+00 2.42 4.871464724e+00 4.871464724e+00 2.44 4.274447629e+00 4.274447629e+00 2.46 3.715068176e+00 3.715068176e+00 2.48 3.191033251e+00 3.191033251e+00 2.50 2.700066962e+00 2.700066962e+00 2.52 2.240101648e+00 2.240101648e+00 2.54 1.809283075e+00 1.809283075e+00 2.56 1.405945534e+00 1.405945534e+00 2.58 1.028582608e+00 1.028582608e+00 2.60 6.758145044e-01 6.758145044e-01 2.62 3.463640793e-01 3.463640793e-01 2.64 3.912385737e-02 3.912385737e-02 2.66 -2.469192246e-01 -2.469192246e-01 2.68 -5.127848628e-01 -5.127848628e-01 2.70 -7.594889225e-01 -7.594889225e-01 2.72 -9.880302257e-01 -9.880302257e-01 2.74 -1.199378401e+00 -1.199378401e+00 2.76 -1.394464447e+00 -1.394464447e+00 2.78 -1.574174497e+00 -1.574174497e+00 2.80 -1.739347016e+00 -1.739347016e+00 2.82 -1.890771664e+00 -1.890771664e+00 2.84 -2.029190761e+00 -2.029190761e+00 2.86 -2.155301685e+00 -2.155301685e+00 2.88 -2.269760293e+00 -2.269760293e+00 2.90 -2.373208892e+00 -2.373208892e+00 2.92 -2.466832897e+00 -2.466832897e+00 2.94 -2.551243635e+00 -2.551243635e+00 2.96 -2.626725433e+00 -2.626725433e+00 2.98 -2.693576454e+00 -2.693576454e+00 3.00 -2.752108375e+00 -2.752108375e+00 3.02 -2.802646465e+00 -2.802646465e+00 3.04 -2.845528999e+00 -2.845528999e+00 3.06 -2.881108268e+00 -2.881108268e+00 3.08 -2.909759155e+00 -2.909759155e+00 3.10 -2.931874412e+00 -2.931874412e+00 3.12 -2.947842836e+00 -2.947842836e+00 3.14 -2.958049802e+00 -2.958049802e+00 3.16 -2.962866406e+00 -2.962866406e+00 3.18 -2.962654265e+00 -2.962654265e+00 3.20 -2.957764453e+00 -2.957764453e+00 3.22 -2.948538938e+00 -2.948538938e+00 3.24 -2.935312463e+00 -2.935312463e+00 3.26 -2.918414443e+00 -2.918414443e+00 3.28 -2.898170568e+00 -2.898170568e+00 3.30 -2.874903709e+00 -2.874903709e+00 3.32 -2.848933655e+00 -2.848933655e+00 3.34 -2.820575264e+00 -2.820575264e+00 3.36 -2.790134858e+00 -2.790134858e+00 3.38 -2.757905109e+00 -2.757905109e+00 3.40 -2.724158863e+00 -2.724158863e+00 3.42 -2.689143923e+00 -2.689143923e+00 3.44 -2.653076784e+00 -2.653076784e+00 3.46 -2.616177827e+00 -2.616177827e+00 3.48 -2.578614972e+00 -2.578614972e+00 3.50 -2.540442544e+00 -2.540442544e+00 3.52 -2.501689852e+00 -2.501689852e+00 3.54 -2.462364572e+00 -2.462364572e+00 3.56 -2.422456521e+00 -2.422456521e+00 3.58 -2.381942246e+00 -2.381942246e+00 3.60 -2.340790120e+00 -2.340790120e+00 3.62 -2.298964009e+00 -2.298964009e+00 3.64 -2.256410455e+00 -2.256410455e+00 3.66 -2.213070807e+00 -2.213070807e+00 3.68 -2.168902623e+00 -2.168902623e+00 3.70 -2.123884872e+00 -2.123884872e+00 3.72 -2.078022379e+00 -2.078022379e+00 3.74 -2.031349308e+00 -2.031349308e+00 3.76 -1.983931276e+00 -1.983931276e+00 3.78 -1.935865753e+00 -1.935865753e+00 3.80 -1.887280524e+00 -1.887280524e+00 3.82 -1.838330141e+00 -1.838330141e+00 3.84 -1.789190540e+00 -1.789190540e+00 3.86 -1.740052138e+00 -1.740052138e+00 3.88 -1.691111958e+00 -1.691111958e+00 3.90 -1.642565381e+00 -1.642565381e+00 3.92 -1.594597574e+00 -1.594597574e+00 3.94 -1.547379138e+00 -1.547379138e+00 3.96 -1.501056336e+00 -1.501056336e+00 3.98 -1.455750158e+00 -1.455750158e+00 4.00 -1.411553556e+00 -1.411553556e+00 4.02 -1.368531231e+00 -1.368531231e+00 4.04 -1.326720987e+00 -1.326720987e+00 4.06 -1.286136333e+00 -1.286136333e+00 4.08 -1.246769974e+00 -1.246769974e+00 4.10 -1.208595464e+00 -1.208595464e+00 4.12 -1.171581490e+00 -1.171581490e+00 4.14 -1.135680398e+00 -1.135680398e+00 4.16 -1.100843293e+00 -1.100843293e+00 4.18 -1.067020786e+00 -1.067020786e+00 4.20 -1.034166162e+00 -1.034166162e+00 4.22 -1.002237915e+00 -1.002237915e+00 4.24 -9.712015559e-01 -9.712015559e-01 4.26 -9.410306074e-01 -9.410306074e-01 4.28 -9.117067378e-01 -9.117067378e-01 4.30 -8.832190537e-01 -8.832190537e-01 4.32 -8.555626389e-01 -8.555626389e-01 4.34 -8.287365134e-01 -8.287365134e-01 4.36 -8.027412608e-01 -8.027412608e-01 4.38 -7.775766069e-01 -7.775766069e-01 4.40 -7.532392325e-01 -7.532392325e-01 4.42 -7.297210501e-01 -7.297210501e-01 4.44 -7.070080895e-01 -7.070080895e-01 4.46 -6.850800351e-01 -6.850800351e-01 4.48 -6.639103660e-01 -6.639103660e-01 4.50 -6.434669776e-01 -6.434669776e-01 4.52 -6.237131297e-01 -6.237131297e-01 4.54 -6.046085622e-01 -6.046085622e-01 4.56 -5.861106418e-01 -5.861106418e-01 4.58 -5.681754386e-01 -5.681754386e-01 4.60 -5.507586725e-01 -5.507586725e-01 4.62 -5.338165060e-01 -5.338165060e-01 4.64 -5.173061878e-01 -5.173061878e-01 4.66 -5.011865735e-01 -5.011865735e-01 4.68 -4.854185572e-01 -4.854185572e-01 4.70 -4.699654543e-01 -4.699654543e-01 4.72 -4.547933708e-01 -4.547933708e-01 4.74 -4.398715884e-01 -4.398715884e-01 4.76 -4.251729843e-01 -4.251729843e-01 4.78 -4.106744920e-01 -4.106744920e-01 4.80 -3.963561280e-01 -3.963561280e-01 4.82 -3.822075873e-01 -3.822075873e-01 4.84 -3.682191884e-01 -3.682191884e-01 4.86 -3.543888919e-01 -3.543888919e-01 4.88 -3.407207952e-01 -3.407207952e-01 4.90 -3.272251558e-01 -3.272251558e-01 4.92 -3.139181426e-01 -3.139181426e-01 4.94 -3.008212753e-01 -3.008212753e-01 4.96 -2.879605401e-01 -2.879605401e-01 4.98 -2.753652046e-01 -2.753652046e-01 5.00 -2.630663947e-01 -2.630663947e-01 5.02 -2.510955320e-01 -2.510955320e-01 5.04 -2.394827527e-01 -2.394827527e-01 5.06 -2.282554393e-01 -2.282554393e-01 5.08 -2.174369843e-01 -2.174369843e-01 5.10 -2.070458787e-01 -2.070458787e-01 5.12 -1.970951761e-01 -1.970951761e-01 5.14 -1.875923407e-01 -1.875923407e-01 5.16 -1.785394421e-01 -1.785394421e-01 5.18 -1.699336314e-01 -1.699336314e-01 5.20 -1.617678119e-01 -1.617678119e-01 5.22 -1.540314000e-01 -1.540314000e-01 5.24 -1.467111187e-01 -1.467111187e-01 5.26 -1.397917328e-01 -1.397917328e-01 5.28 -1.332566895e-01 -1.332566895e-01 5.30 -1.270886266e-01 -1.270886266e-01 5.32 -1.212697576e-01 -1.212697576e-01 5.34 -1.157821450e-01 -1.157821450e-01 5.36 -1.106078793e-01 -1.106078793e-01 5.38 -1.057291546e-01 -1.057291546e-01 5.40 -1.011274351e-01 -1.011274351e-01 5.42 -9.678564686e-02 -9.678564686e-02 5.44 -9.268740705e-02 -9.268740705e-02 5.46 -8.881642361e-02 -8.881642361e-02 5.48 -8.515663744e-02 -8.515663744e-02 5.50 -8.169234842e-02 -8.169234842e-02 5.52 -7.840832655e-02 -7.840832655e-02 5.54 -7.528990770e-02 -7.528990770e-02 5.56 -7.232307260e-02 -7.232307260e-02 5.58 -6.949450829e-02 -6.949450829e-02 5.60 -6.679165193e-02 -6.679165193e-02 5.62 -6.420271818e-02 -6.420271818e-02 5.64 -6.171671197e-02 -6.171671197e-02 5.66 -5.932342941e-02 -5.932342941e-02 5.68 -5.701344994e-02 -5.701344994e-02 5.70 -5.477812273e-02 -5.477812273e-02 5.72 -5.260955055e-02 -5.260955055e-02 5.74 -5.050057357e-02 -5.050057357e-02 5.76 -4.844475542e-02 -4.844475542e-02 5.78 -4.643637308e-02 -4.643637308e-02 5.80 -4.447041151e-02 -4.447041151e-02 5.82 -4.254256330e-02 -4.254256330e-02 5.84 -4.064923282e-02 -4.064923282e-02 5.86 -3.878754378e-02 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