# 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 = Ag2AuMo # 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 3.166646225e+02 3.166646225e+02 1.30 2.933498459e+02 2.933498459e+02 1.32 2.717605055e+02 2.717605055e+02 1.34 2.517670619e+02 2.517670619e+02 1.36 2.332513859e+02 2.332513859e+02 1.38 2.161030308e+02 2.161030308e+02 1.40 2.002168836e+02 2.002168836e+02 1.42 1.854928080e+02 1.854928080e+02 1.44 1.718366665e+02 1.718366665e+02 1.46 1.591616048e+02 1.591616048e+02 1.48 1.473888220e+02 1.473888220e+02 1.50 1.364475356e+02 1.364475356e+02 1.52 1.262742296e+02 1.262742296e+02 1.54 1.168115585e+02 1.168115585e+02 1.56 1.080073035e+02 1.080073035e+02 1.58 9.981356962e+01 9.981356962e+01 1.60 9.218623165e+01 9.218623165e+01 1.62 8.508456437e+01 8.508456437e+01 1.64 7.847099522e+01 7.847099522e+01 1.66 7.231093267e+01 7.231093267e+01 1.68 6.657262119e+01 6.657262119e+01 1.70 6.122702415e+01 6.122702415e+01 1.72 5.625536240e+01 5.625536240e+01 1.74 5.164222320e+01 5.164222320e+01 1.76 4.736405986e+01 4.736405986e+01 1.78 4.339964534e+01 4.339964534e+01 1.80 3.972661990e+01 3.972661990e+01 1.82 3.632383946e+01 3.632383946e+01 1.84 3.317153488e+01 3.317153488e+01 1.86 3.025140714e+01 3.025140714e+01 1.88 2.754663443e+01 2.754663443e+01 1.90 2.504177212e+01 2.504177212e+01 1.92 2.272258553e+01 2.272258553e+01 1.94 2.057587995e+01 2.057587995e+01 1.96 1.858937494e+01 1.858937494e+01 1.98 1.675162936e+01 1.675162936e+01 2.00 1.505198927e+01 1.505198927e+01 2.02 1.348052836e+01 1.348052836e+01 2.04 1.202797183e+01 1.202797183e+01 2.06 1.068561636e+01 1.068561636e+01 2.08 9.445265942e+00 9.445265942e+00 2.10 8.299197577e+00 8.299197577e+00 2.12 7.240160156e+00 7.240160156e+00 2.14 6.261397751e+00 6.261397751e+00 2.16 5.356681142e+00 5.356681142e+00 2.18 4.520330402e+00 4.520330402e+00 2.20 3.747216616e+00 3.747216616e+00 2.22 3.032738641e+00 3.032738641e+00 2.24 2.372777947e+00 2.372777947e+00 2.26 1.763639180e+00 1.763639180e+00 2.28 1.201985565e+00 1.201985565e+00 2.30 6.847770789e-01 6.847770789e-01 2.32 2.092163829e-01 2.092163829e-01 2.34 -2.272954294e-01 -2.272954294e-01 2.36 -6.271934142e-01 -6.271934142e-01 2.38 -9.927747676e-01 -9.927747676e-01 2.40 -1.326212971e+00 -1.326212971e+00 2.42 -1.629445864e+00 -1.629445864e+00 2.44 -1.904513359e+00 -1.904513359e+00 2.46 -2.153445142e+00 -2.153445142e+00 2.48 -2.378153281e+00 -2.378153281e+00 2.50 -2.580438568e+00 -2.580438568e+00 2.52 -2.761994680e+00 -2.761994680e+00 2.54 -2.924412211e+00 -2.924412211e+00 2.56 -3.069173009e+00 -3.069173009e+00 2.58 -3.197505109e+00 -3.197505109e+00 2.60 -3.310468115e+00 -3.310468115e+00 2.62 -3.409097086e+00 -3.409097086e+00 2.64 -3.494391951e+00 -3.494391951e+00 2.66 -3.567299106e+00 -3.567299106e+00 2.68 -3.628699748e+00 -3.628699748e+00 2.70 -3.679474888e+00 -3.679474888e+00 2.72 -3.720275159e+00 -3.720275159e+00 2.74 -3.751637605e+00 -3.751637605e+00 2.76 -3.774056461e+00 -3.774056461e+00 2.78 -3.787992297e+00 -3.787992297e+00 2.80 -3.793881011e+00 -3.793881011e+00 2.82 -3.792141528e+00 -3.792141528e+00 2.84 -3.783174651e+00 -3.783174651e+00 2.86 -3.767367744e+00 -3.767367744e+00 2.88 -3.745112562e+00 -3.745112562e+00 2.90 -3.716812670e+00 -3.716812670e+00 2.92 -3.682889864e+00 -3.682889864e+00 2.94 -3.643837941e+00 -3.643837941e+00 2.96 -3.600293430e+00 -3.600293430e+00 2.98 -3.552587394e+00 -3.552587394e+00 3.00 -3.501064493e+00 -3.501064493e+00 3.02 -3.446116445e+00 -3.446116445e+00 3.04 -3.388164290e+00 -3.388164290e+00 3.06 -3.327637844e+00 -3.327637844e+00 3.08 -3.264953871e+00 -3.264953871e+00 3.10 -3.200496719e+00 -3.200496719e+00 3.12 -3.134614568e+00 -3.134614568e+00 3.14 -3.067600201e+00 -3.067600201e+00 3.16 -2.999676785e+00 -2.999676785e+00 3.18 -2.931001572e+00 -2.931001572e+00 3.20 -2.861675572e+00 -2.861675572e+00 3.22 -2.791757070e+00 -2.791757070e+00 3.24 -2.721276900e+00 -2.721276900e+00 3.26 -2.650253737e+00 -2.650253737e+00 3.28 -2.578708220e+00 -2.578708220e+00 3.30 -2.506675206e+00 -2.506675206e+00 3.32 -2.434213718e+00 -2.434213718e+00 3.34 -2.361414363e+00 -2.361414363e+00 3.36 -2.288403939e+00 -2.288403939e+00 3.38 -2.215347047e+00 -2.215347047e+00 3.40 -2.142444522e+00 -2.142444522e+00 3.42 -2.069928703e+00 -2.069928703e+00 3.44 -1.998055785e+00 -1.998055785e+00 3.46 -1.927095812e+00 -1.927095812e+00 3.48 -1.857321167e+00 -1.857321167e+00 3.50 -1.788994591e+00 -1.788994591e+00 3.52 -1.722357872e+00 -1.722357872e+00 3.54 -1.657622213e+00 -1.657622213e+00 3.56 -1.594961042e+00 -1.594961042e+00 3.58 -1.534505699e+00 -1.534505699e+00 3.60 -1.476344049e+00 -1.476344049e+00 3.62 -1.420521737e+00 -1.420521737e+00 3.64 -1.367045590e+00 -1.367045590e+00 3.66 -1.315888514e+00 -1.315888514e+00 3.68 -1.266995261e+00 -1.266995261e+00 3.70 -1.220288460e+00 -1.220288460e+00 3.72 -1.175674485e+00 -1.175674485e+00 3.74 -1.133048806e+00 -1.133048806e+00 3.76 -1.092300652e+00 -1.092300652e+00 3.78 -1.053316880e+00 -1.053316880e+00 3.80 -1.015985071e+00 -1.015985071e+00 3.82 -9.801958675e-01 -9.801958675e-01 3.84 -9.458446662e-01 -9.458446662e-01 3.86 -9.128327266e-01 -9.128327266e-01 3.88 -8.810678100e-01 -8.810678100e-01 3.90 -8.504644310e-01 -8.504644310e-01 3.92 -8.209438106e-01 -8.209438106e-01 3.94 -7.924336148e-01 -7.924336148e-01 3.96 -7.648675394e-01 -7.648675394e-01 3.98 -7.381848287e-01 -7.381848287e-01 4.00 -7.123297738e-01 -7.123297738e-01 4.02 -6.872512490e-01 -6.872512490e-01 4.04 -6.629023324e-01 -6.629023324e-01 4.06 -6.392400435e-01 -6.392400435e-01 4.08 -6.162252242e-01 -6.162252242e-01 4.10 -5.938225702e-01 -5.938225702e-01 4.12 -5.720008309e-01 -5.720008309e-01 4.14 -5.507331097e-01 -5.507331097e-01 4.16 -5.299972926e-01 -5.299972926e-01 4.18 -5.097764966e-01 -5.097764966e-01 4.20 -4.900594791e-01 -4.900594791e-01 4.22 -4.708409104e-01 -4.708409104e-01 4.24 -4.521214063e-01 -4.521214063e-01 4.26 -4.339072251e-01 -4.339072251e-01 4.28 -4.162095569e-01 -4.162095569e-01 4.30 -3.990433805e-01 -3.990433805e-01 4.32 -3.824259207e-01 -3.824259207e-01 4.34 -3.663748089e-01 -3.663748089e-01 4.36 -3.509061074e-01 -3.509061074e-01 4.38 -3.360323966e-01 -3.360323966e-01 4.40 -3.217611266e-01 -3.217611266e-01 4.42 -3.080934017e-01 -3.080934017e-01 4.44 -2.950233039e-01 -2.950233039e-01 4.46 -2.825377832e-01 -2.825377832e-01 4.48 -2.706170658e-01 -2.706170658e-01 4.50 -2.592354747e-01 -2.592354747e-01 4.52 -2.483625242e-01 -2.483625242e-01 4.54 -2.379641463e-01 -2.379641463e-01 4.56 -2.280039249e-01 -2.280039249e-01 4.58 -2.184442432e-01 -2.184442432e-01 4.60 -2.092472896e-01 -2.092472896e-01 4.62 -2.003758961e-01 -2.003758961e-01 4.64 -1.917942139e-01 -1.917942139e-01 4.66 -1.834682471e-01 -1.834682471e-01 4.68 -1.753662769e-01 -1.753662769e-01 4.70 -1.674592100e-01 -1.674592100e-01 4.72 -1.597208854e-01 -1.597208854e-01 4.74 -1.521283639e-01 -1.521283639e-01 4.76 -1.446622198e-01 -1.446622198e-01 4.78 -1.373068410e-01 -1.373068410e-01 4.80 -1.300507298e-01 -1.300507298e-01 4.82 -1.228867996e-01 -1.228867996e-01 4.84 -1.158126122e-01 -1.158126122e-01 4.86 -1.088305527e-01 -1.088305527e-01 4.88 -1.019478719e-01 -1.019478719e-01 4.90 -9.517656176e-02 -9.517656176e-02 4.92 -8.853302136e-02 -8.853302136e-02 4.94 -8.203748890e-02 -8.203748890e-02 4.96 -7.571323283e-02 -7.571323283e-02 4.98 -6.958552113e-02 -6.958552113e-02 5.00 -6.368041891e-02 -6.368041891e-02 5.02 -5.802349378e-02 -5.802349378e-02 5.04 -5.263851548e-02 -5.263851548e-02 5.06 -4.754625187e-02 -4.754625187e-02 5.08 -4.276346057e-02 -4.276346057e-02 5.10 -3.830191969e-02 -3.830191969e-02 5.12 -3.416829488e-02 -3.416829488e-02 5.14 -3.036436512e-02 -3.036436512e-02 5.16 -2.688675309e-02 -2.688675309e-02 5.18 -2.372739570e-02 -2.372739570e-02 5.20 -2.087404708e-02 -2.087404708e-02 5.22 -1.831111725e-02 -1.831111725e-02 5.24 -1.602112119e-02 -1.602112119e-02 5.26 -1.398485734e-02 -1.398485734e-02 5.28 -1.218215022e-02 -1.218215022e-02 5.30 -1.059252412e-02 -1.059252412e-02 5.32 -9.195757370e-03 -9.195757370e-03 5.34 -7.972314608e-03 -7.972314608e-03 5.36 -6.903663403e-03 -6.903663403e-03 5.38 -5.972487924e-03 -5.972487924e-03 5.40 -5.162815183e-03 -5.162815183e-03 5.42 -4.460070450e-03 -4.460070450e-03 5.44 -3.851077758e-03 -3.851077758e-03 5.46 -3.324019857e-03 -3.324019857e-03 5.48 -2.868369913e-03 -2.868369913e-03 5.50 -2.474805065e-03 -2.474805065e-03 5.52 -2.135109817e-03 -2.135109817e-03 5.54 -1.842075335e-03 -1.842075335e-03 5.56 -1.589399121e-03 -1.589399121e-03 5.58 -1.371588137e-03 -1.371588137e-03 5.60 -1.183867444e-03 -1.183867444e-03 5.62 -1.022095560e-03 -1.022095560e-03 5.64 -8.826871374e-04 -8.826871374e-04 5.66 -7.625431279e-04 -7.625431279e-04 5.68 -6.589882800e-04 -6.589882800e-04 5.70 -5.697156211e-04 -5.697156211e-04 5.72 -4.927374500e-04 -4.927374500e-04 5.74 -4.263422992e-04 -4.263422992e-04 5.76 -3.690573024e-04 -3.690573024e-04 5.78 -3.196154076e-04 -3.196154076e-04 5.80 -2.769268971e-04 -2.769268971e-04 5.82 -2.400547118e-04 -2.400547118e-04 5.84 -2.081931142e-04 -2.081931142e-04 5.86 -1.806492732e-04 -1.806492732e-04 5.88 -1.568273906e-04 -1.568273906e-04 5.90 -1.362150366e-04 -1.362150366e-04 5.92 -1.183713958e-04 -1.183713958e-04 5.94 -1.029171665e-04 -1.029171665e-04 5.96 -8.952588352e-05 -8.952588352e-05 5.98 -7.791646893e-05 -7.791646893e-05 6.00 -6.784683756e-05 -6.784683756e-05