# 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 = AgTiW2 # 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 3.916048578e+02 3.916048578e+02 1.30 3.620095280e+02 3.620095280e+02 1.32 3.346942178e+02 3.346942178e+02 1.34 3.094635525e+02 3.094635525e+02 1.36 2.861374412e+02 2.861374412e+02 1.38 2.645519062e+02 2.645519062e+02 1.40 2.445598011e+02 2.445598011e+02 1.42 2.260304287e+02 2.260304287e+02 1.44 2.088480748e+02 2.088480748e+02 1.46 1.929098809e+02 1.929098809e+02 1.48 1.781235587e+02 1.781235587e+02 1.50 1.644054810e+02 1.644054810e+02 1.52 1.516793877e+02 1.516793877e+02 1.54 1.398755446e+02 1.398755446e+02 1.56 1.289300957e+02 1.289300957e+02 1.58 1.187843890e+02 1.187843890e+02 1.60 1.093841503e+02 1.093841503e+02 1.62 1.006785773e+02 1.006785773e+02 1.64 9.261953000e+01 9.261953000e+01 1.66 8.516093978e+01 8.516093978e+01 1.68 7.825850957e+01 7.825850957e+01 1.70 7.186975849e+01 7.186975849e+01 1.72 6.595436407e+01 6.595436407e+01 1.74 6.047461450e+01 6.047461450e+01 1.76 5.539574061e+01 5.539574061e+01 1.78 5.068602335e+01 5.068602335e+01 1.80 4.631673535e+01 4.631673535e+01 1.82 4.226201627e+01 4.226201627e+01 1.84 3.849871183e+01 3.849871183e+01 1.86 3.500633913e+01 3.500633913e+01 1.88 3.176748692e+01 3.176748692e+01 1.90 2.876557175e+01 2.876557175e+01 1.92 2.598533987e+01 2.598533987e+01 1.94 2.341318939e+01 2.341318939e+01 1.96 2.103608639e+01 2.103608639e+01 1.98 1.884080294e+01 1.884080294e+01 2.00 1.681470839e+01 1.681470839e+01 2.02 1.494573036e+01 1.494573036e+01 2.04 1.322230305e+01 1.322230305e+01 2.06 1.163331764e+01 1.163331764e+01 2.08 1.016810272e+01 1.016810272e+01 2.10 8.816453390e+00 8.816453390e+00 2.12 7.568709155e+00 7.568709155e+00 2.14 6.415863269e+00 6.415863269e+00 2.16 5.349676474e+00 5.349676474e+00 2.18 4.362762658e+00 4.362762658e+00 2.20 3.448619125e+00 3.448619125e+00 2.22 2.601588884e+00 2.601588884e+00 2.24 1.816764192e+00 1.816764192e+00 2.26 1.089856535e+00 1.089856535e+00 2.28 4.170627785e-01 4.170627785e-01 2.30 -2.050492451e-01 -2.050492451e-01 2.32 -7.796257357e-01 -7.796257357e-01 2.34 -1.309581900e+00 -1.309581900e+00 2.36 -1.797636555e+00 -1.797636555e+00 2.38 -2.246335885e+00 -2.246335885e+00 2.40 -2.658073842e+00 -2.658073842e+00 2.42 -3.035110465e+00 -3.035110465e+00 2.44 -3.379585836e+00 -3.379585836e+00 2.46 -3.693528132e+00 -3.693528132e+00 2.48 -3.978855875e+00 -3.978855875e+00 2.50 -4.237265444e+00 -4.237265444e+00 2.52 -4.470418987e+00 -4.470418987e+00 2.54 -4.680059322e+00 -4.680059322e+00 2.56 -4.867787057e+00 -4.867787057e+00 2.58 -5.035067178e+00 -5.035067178e+00 2.60 -5.183238875e+00 -5.183238875e+00 2.62 -5.313526755e+00 -5.313526755e+00 2.64 -5.427052455e+00 -5.427052455e+00 2.66 -5.524696693e+00 -5.524696693e+00 2.68 -5.606789922e+00 -5.606789922e+00 2.70 -5.673609124e+00 -5.673609124e+00 2.72 -5.725493420e+00 -5.725493420e+00 2.74 -5.762836345e+00 -5.762836345e+00 2.76 -5.786078870e+00 -5.786078870e+00 2.78 -5.795702977e+00 -5.795702977e+00 2.80 -5.792226545e+00 -5.792226545e+00 2.82 -5.776200408e+00 -5.776200408e+00 2.84 -5.748248283e+00 -5.748248283e+00 2.86 -5.708994015e+00 -5.708994015e+00 2.88 -5.659058881e+00 -5.659058881e+00 2.90 -5.599134515e+00 -5.599134515e+00 2.92 -5.529992544e+00 -5.529992544e+00 2.94 -5.452491915e+00 -5.452491915e+00 2.96 -5.367580748e+00 -5.367580748e+00 2.98 -5.276289678e+00 -5.276289678e+00 3.00 -5.179697353e+00 -5.179697353e+00 3.02 -5.078826439e+00 -5.078826439e+00 3.04 -4.974676872e+00 -4.974676872e+00 3.06 -4.868211060e+00 -4.868211060e+00 3.08 -4.760300270e+00 -4.760300270e+00 3.10 -4.651679359e+00 -4.651679359e+00 3.12 -4.542916386e+00 -4.542916386e+00 3.14 -4.434401289e+00 -4.434401289e+00 3.16 -4.326401724e+00 -4.326401724e+00 3.18 -4.219062193e+00 -4.219062193e+00 3.20 -4.112172857e+00 -4.112172857e+00 3.22 -4.005440083e+00 -4.005440083e+00 3.24 -3.898532648e+00 -3.898532648e+00 3.26 -3.791110009e+00 -3.791110009e+00 3.28 -3.682848780e+00 -3.682848780e+00 3.30 -3.573479041e+00 -3.573479041e+00 3.32 -3.462810198e+00 -3.462810198e+00 3.34 -3.350732616e+00 -3.350732616e+00 3.36 -3.237232843e+00 -3.237232843e+00 3.38 -3.122406442e+00 -3.122406442e+00 3.40 -3.006465785e+00 -3.006465785e+00 3.42 -2.889741601e+00 -2.889741601e+00 3.44 -2.772676943e+00 -2.772676943e+00 3.46 -2.655813308e+00 -2.655813308e+00 3.48 -2.539768946e+00 -2.539768946e+00 3.50 -2.425210631e+00 -2.425210631e+00 3.52 -2.312820966e+00 -2.312820966e+00 3.54 -2.203263976e+00 -2.203263976e+00 3.56 -2.097152045e+00 -2.097152045e+00 3.58 -1.995017205e+00 -1.995017205e+00 3.60 -1.897289280e+00 -1.897289280e+00 3.62 -1.804282566e+00 -1.804282566e+00 3.64 -1.716191623e+00 -1.716191623e+00 3.66 -1.633095603e+00 -1.633095603e+00 3.68 -1.554969538e+00 -1.554969538e+00 3.70 -1.481700390e+00 -1.481700390e+00 3.72 -1.413105511e+00 -1.413105511e+00 3.74 -1.348951398e+00 -1.348951398e+00 3.76 -1.288971156e+00 -1.288971156e+00 3.78 -1.232879641e+00 -1.232879641e+00 3.80 -1.180385829e+00 -1.180385829e+00 3.82 -1.131202339e+00 -1.131202339e+00 3.84 -1.085052335e+00 -1.085052335e+00 3.86 -1.041674160e+00 -1.041674160e+00 3.88 -1.000824133e+00 -1.000824133e+00 3.90 -9.622779027e-01 -9.622779027e-01 3.92 -9.258307282e-01 -9.258307282e-01 3.94 -8.912971261e-01 -8.912971261e-01 3.96 -8.585097770e-01 -8.585097770e-01 3.98 -8.273184030e-01 -8.273184030e-01 4.00 -7.975883611e-01 -7.975883611e-01 4.02 -7.691992288e-01 -7.691992288e-01 4.04 -7.420434273e-01 -7.420434273e-01 4.06 -7.160249328e-01 -7.160249328e-01 4.08 -6.910581065e-01 -6.910581065e-01 4.10 -6.670665720e-01 -6.670665720e-01 4.12 -6.439826877e-01 -6.439826877e-01 4.14 -6.217462076e-01 -6.217462076e-01 4.16 -6.003040514e-01 -6.003040514e-01 4.18 -5.796096578e-01 -5.796096578e-01 4.20 -5.596225172e-01 -5.596225172e-01 4.22 -5.403077395e-01 -5.403077395e-01 4.24 -5.216356177e-01 -5.216356177e-01 4.26 -5.035811493e-01 -5.035811493e-01 4.28 -4.861234819e-01 -4.861234819e-01 4.30 -4.692452651e-01 -4.692452651e-01 4.32 -4.529319068e-01 -4.529319068e-01 4.34 -4.371707567e-01 -4.371707567e-01 4.36 -4.219502585e-01 -4.219502585e-01 4.38 -4.072591304e-01 -4.072591304e-01 4.40 -3.930856349e-01 -3.930856349e-01 4.42 -3.794169981e-01 -3.794169981e-01 4.44 -3.662390145e-01 -3.662390145e-01 4.46 -3.535358527e-01 -3.535358527e-01 4.48 -3.412898526e-01 -3.412898526e-01 4.50 -3.294820637e-01 -3.294820637e-01 4.52 -3.180925112e-01 -3.180925112e-01 4.54 -3.071002572e-01 -3.071002572e-01 4.56 -2.964837828e-01 -2.964837828e-01 4.58 -2.862213502e-01 -2.862213502e-01 4.60 -2.762913238e-01 -2.762913238e-01 4.62 -2.666724419e-01 -2.666724419e-01 4.64 -2.573440378e-01 -2.573440378e-01 4.66 -2.482862190e-01 -2.482862190e-01 4.68 -2.394800180e-01 -2.394800180e-01 4.70 -2.309075250e-01 -2.309075250e-01 4.72 -2.225520189e-01 -2.225520189e-01 4.74 -2.143981066e-01 -2.143981066e-01 4.76 -2.064318784e-01 -2.064318784e-01 4.78 -1.986410850e-01 -1.986410850e-01 4.80 -1.910152910e-01 -1.910152910e-01 4.82 -1.835462633e-01 -1.835462633e-01 4.84 -1.762279035e-01 -1.762279035e-01 4.86 -1.690566355e-01 -1.690566355e-01 4.88 -1.620315040e-01 -1.620315040e-01 4.90 -1.551542522e-01 -1.551542522e-01 4.92 -1.484292976e-01 -1.484292976e-01 4.94 -1.418635769e-01 -1.418635769e-01 4.96 -1.354662404e-01 -1.354662404e-01 4.98 -1.292481897e-01 -1.292481897e-01 5.00 -1.232214681e-01 -1.232214681e-01 5.02 -1.173985350e-01 -1.173985350e-01 5.04 -1.117914715e-01 -1.117914715e-01 5.06 -1.064111834e-01 -1.064111834e-01 5.08 -1.012666069e-01 -1.012666069e-01 5.10 -9.636408060e-02 -9.636408060e-02 5.12 -9.170726307e-02 -9.170726307e-02 5.14 -8.729665080e-02 -8.729665080e-02 5.16 -8.312955604e-02 -8.312955604e-02 5.18 -7.920029967e-02 -7.920029967e-02 5.20 -7.550055645e-02 -7.550055645e-02 5.22 -7.201980307e-02 -7.201980307e-02 5.24 -6.874581756e-02 -6.874581756e-02 5.26 -6.566518411e-02 -6.566518411e-02 5.28 -6.276376664e-02 -6.276376664e-02 5.30 -6.002712652e-02 -6.002712652e-02 5.32 -5.744087074e-02 -5.744087074e-02 5.34 -5.499092665e-02 -5.499092665e-02 5.36 -5.266374661e-02 -5.266374661e-02 5.38 -5.044645066e-02 -5.044645066e-02 5.40 -4.832691819e-02 -4.832691819e-02 5.42 -4.629384028e-02 -4.629384028e-02 5.44 -4.433674426e-02 -4.433674426e-02 5.46 -4.244600131e-02 -4.244600131e-02 5.48 -4.061282597e-02 -4.061282597e-02 5.50 -3.882927515e-02 -3.882927515e-02 5.52 -3.708825246e-02 -3.708825246e-02 5.54 -3.538352162e-02 -3.538352162e-02 5.56 -3.370973090e-02 -3.370973090e-02 5.58 -3.206244853e-02 -3.206244853e-02 5.60 -3.043820732e-02 -3.043820732e-02 5.62 -2.883455392e-02 -2.883455392e-02 5.64 -2.725009640e-02 -2.725009640e-02 5.66 -2.568454177e-02 -2.568454177e-02 5.68 -2.413871384e-02 -2.413871384e-02 5.70 -2.261454101e-02 -2.261454101e-02 5.72 -2.111500453e-02 -2.111500453e-02 5.74 -1.964403938e-02 -1.964403938e-02 5.76 -1.820638392e-02 -1.820638392e-02 5.78 -1.680725516e-02 -1.680725516e-02 5.80 -1.545229918e-02 -1.545229918e-02 5.82 -1.414737416e-02 -1.414737416e-02 5.84 -1.289812885e-02 -1.289812885e-02 5.86 -1.170972347e-02 -1.170972347e-02 5.88 -1.058658074e-02 -1.058658074e-02 5.90 -9.532185465e-03 -9.532185465e-03 5.92 -8.548946411e-03 -8.548946411e-03 5.94 -7.638127270e-03 -7.638127270e-03 5.96 -6.799846325e-03 -6.799846325e-03 5.98 -6.033137958e-03 -6.033137958e-03 6.00 -5.336064177e-03 -5.336064177e-03