# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Tirumala-A-S-Shattock-O-Mason-D-R-et-al--W-H-He # implementation = 2026--Tirumala-A-S--W-H-He--LAMMPS--ipr1 # composition = HHe2W # 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 2026-06-16 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 3.271165077e+02 3.271165077e+02 0.92 2.855934014e+02 2.855934014e+02 0.94 2.497456560e+02 2.497456560e+02 0.96 2.187874840e+02 2.187874840e+02 0.98 1.920221157e+02 1.920221157e+02 1.00 1.687971358e+02 1.687971358e+02 1.02 1.486329674e+02 1.486329674e+02 1.04 1.311381668e+02 1.311381668e+02 1.06 1.158980195e+02 1.158980195e+02 1.08 1.025247517e+02 1.025247517e+02 1.10 9.076546695e+01 9.076546695e+01 1.12 8.042963983e+01 8.042963983e+01 1.14 7.130387176e+01 7.130387176e+01 1.16 6.322661257e+01 6.322661257e+01 1.18 5.608244388e+01 5.608244388e+01 1.20 4.976710910e+01 4.976710910e+01 1.22 4.417990578e+01 4.417990578e+01 1.24 3.922961351e+01 3.922961351e+01 1.26 3.485094670e+01 3.485094670e+01 1.28 3.099451693e+01 3.099451693e+01 1.30 2.759840284e+01 2.759840284e+01 1.32 2.458890702e+01 2.458890702e+01 1.34 2.190104131e+01 2.190104131e+01 1.36 1.948775455e+01 1.948775455e+01 1.38 1.731518681e+01 1.731518681e+01 1.40 1.536499457e+01 1.536499457e+01 1.42 1.362948864e+01 1.362948864e+01 1.44 1.209079847e+01 1.209079847e+01 1.46 1.072798355e+01 1.072798355e+01 1.48 9.522275255e+00 9.522275255e+00 1.50 8.457702744e+00 8.457702744e+00 1.52 7.519598463e+00 7.519598463e+00 1.54 6.692339923e+00 6.692339923e+00 1.56 5.960747038e+00 5.960747038e+00 1.58 5.308945185e+00 5.308945185e+00 1.60 4.727851075e+00 4.727851075e+00 1.62 4.213709208e+00 4.213709208e+00 1.64 3.762264354e+00 3.762264354e+00 1.66 3.368486573e+00 3.368486573e+00 1.68 3.026683353e+00 3.026683353e+00 1.70 2.731404611e+00 2.731404611e+00 1.72 2.479555969e+00 2.479555969e+00 1.74 2.268257173e+00 2.268257173e+00 1.76 2.092431112e+00 2.092431112e+00 1.78 1.944621356e+00 1.944621356e+00 1.80 1.815544457e+00 1.815544457e+00 1.82 1.695246400e+00 1.695246400e+00 1.84 1.574377635e+00 1.574377635e+00 1.86 1.446415217e+00 1.446415217e+00 1.88 1.315365451e+00 1.315365451e+00 1.90 1.202807560e+00 1.202807560e+00 1.92 1.111632781e+00 1.111632781e+00 1.94 1.028607589e+00 1.028607589e+00 1.96 9.414127141e-01 9.414127141e-01 1.98 8.458764709e-01 8.458764709e-01 2.00 7.479350620e-01 7.479350620e-01 2.02 6.500856027e-01 6.500856027e-01 2.04 5.503617275e-01 5.503617275e-01 2.06 4.496406582e-01 4.496406582e-01 2.08 3.502411476e-01 3.502411476e-01 2.10 2.549528353e-01 2.549528353e-01 2.12 1.666412661e-01 1.666412661e-01 2.14 8.799913184e-02 8.799913184e-02 2.16 2.141723218e-02 2.141723218e-02 2.18 -3.106794360e-02 -3.106794360e-02 2.20 -6.740081785e-02 -6.740081785e-02 2.22 -8.536654967e-02 -8.536654967e-02 2.24 -8.307021405e-02 -8.307021405e-02 2.26 -5.892942681e-02 -5.892942681e-02 2.28 -1.076279600e-02 -1.076279600e-02 2.30 6.806127729e-02 6.806127729e-02 2.32 2.101483443e-01 2.101483443e-01 2.34 6.766451799e-01 6.766451799e-01 2.36 7.957674333e-01 7.957674333e-01 2.38 8.502222138e-01 8.502222138e-01 2.40 8.745819675e-01 8.745819675e-01 2.42 8.805015097e-01 8.805015097e-01 2.44 8.748055800e-01 8.748055800e-01 2.46 8.613365529e-01 8.613365529e-01 2.48 8.421434654e-01 8.421434654e-01 2.50 8.187334925e-01 8.187334925e-01 2.52 7.923349453e-01 7.923349453e-01 2.54 7.640283773e-01 7.640283773e-01 2.56 7.346104397e-01 7.346104397e-01 2.58 7.045251970e-01 7.045251970e-01 2.60 6.741101630e-01 6.741101630e-01 2.62 6.436293065e-01 6.436293065e-01 2.64 6.132823552e-01 6.132823552e-01 2.66 5.832087487e-01 5.832087487e-01 2.68 5.533905876e-01 5.533905876e-01 2.70 5.236567323e-01 5.236567323e-01 2.72 4.937666610e-01 4.937666610e-01 2.74 4.634571403e-01 4.634571403e-01 2.76 4.326824290e-01 4.326824290e-01 2.78 4.015066632e-01 4.015066632e-01 2.80 3.700253256e-01 3.700253256e-01 2.82 3.383730979e-01 3.383730979e-01 2.84 3.067411397e-01 3.067411397e-01 2.86 2.753706505e-01 2.753706505e-01 2.88 2.442986143e-01 2.442986143e-01 2.90 2.133959122e-01 2.133959122e-01 2.92 1.825382684e-01 1.825382684e-01 2.94 1.516262352e-01 1.516262352e-01 2.96 1.205536927e-01 1.205536927e-01 2.98 8.920064151e-02 8.920064151e-02 3.00 5.742282671e-02 5.742282671e-02 3.02 2.503900938e-02 2.503900938e-02 3.04 -8.187452445e-03 -8.187452445e-03 3.06 -4.258472424e-02 -4.258472424e-02 3.08 -7.863673125e-02 -7.863673125e-02 3.10 -1.171127960e-01 -1.171127960e-01 3.12 -1.593654959e-01 -1.593654959e-01 3.14 -2.081949715e-01 -2.081949715e-01 3.16 -2.674110244e-01 -2.674110244e-01 3.18 -4.329432684e-01 -4.329432684e-01 3.20 -5.524096604e-01 -5.524096604e-01 3.22 -5.979797189e-01 -5.979797189e-01 3.24 -6.308860503e-01 -6.308860503e-01 3.26 -6.554628337e-01 -6.554628337e-01 3.28 -6.741548094e-01 -6.741548094e-01 3.30 -6.882600047e-01 -6.882600047e-01 3.32 -6.985789247e-01 -6.985789247e-01 3.34 -7.056631659e-01 -7.056631659e-01 3.36 -7.099192848e-01 -7.099192848e-01 3.38 -7.116657516e-01 -7.116657516e-01 3.40 -7.111643345e-01 -7.111643345e-01 3.42 -7.086333213e-01 -7.086333213e-01 3.44 -7.042842127e-01 -7.042842127e-01 3.46 -6.983565923e-01 -6.983565923e-01 3.48 -6.910924356e-01 -6.910924356e-01 3.50 -6.827316152e-01 -6.827316152e-01 3.52 -6.734782710e-01 -6.734782710e-01 3.54 -6.633994500e-01 -6.633994500e-01 3.56 -6.525153556e-01 -6.525153556e-01 3.58 -6.408591126e-01 -6.408591126e-01 3.60 -6.284759074e-01 -6.284759074e-01 3.62 -6.154213770e-01 -6.154213770e-01 3.64 -6.017570158e-01 -6.017570158e-01 3.66 -5.875522884e-01 -5.875522884e-01 3.68 -5.728790651e-01 -5.728790651e-01 3.70 -5.578121302e-01 -5.578121302e-01 3.72 -5.424231235e-01 -5.424231235e-01 3.74 -5.266965006e-01 -5.266965006e-01 3.76 -5.111314150e-01 -5.111314150e-01 3.78 -4.958073758e-01 -4.958073758e-01 3.80 -4.781335666e-01 -4.781335666e-01 3.82 -4.586624585e-01 -4.586624585e-01 3.84 -4.398225277e-01 -4.398225277e-01 3.86 -4.227264775e-01 -4.227264775e-01 3.88 -4.073915088e-01 -4.073915088e-01 3.90 -3.937850810e-01 -3.937850810e-01 3.92 -3.817877884e-01 -3.817877884e-01 3.94 -3.712157325e-01 -3.712157325e-01 3.96 -3.618785561e-01 -3.618785561e-01 3.98 -3.536023807e-01 -3.536023807e-01 4.00 -3.462165948e-01 -3.462165948e-01 4.02 -3.395342455e-01 -3.395342455e-01 4.04 -3.333524834e-01 -3.333524834e-01 4.06 -3.275574389e-01 -3.275574389e-01 4.08 -3.220924023e-01 -3.220924023e-01 4.10 -3.168816313e-01 -3.168816313e-01 4.12 -3.118336123e-01 -3.118336123e-01 4.14 -3.068381681e-01 -3.068381681e-01 4.16 -3.017663166e-01 -3.017663166e-01 4.18 -2.964644126e-01 -2.964644126e-01 4.20 -2.907602923e-01 -2.907602923e-01 4.22 -2.844899422e-01 -2.844899422e-01 4.24 -2.776238830e-01 -2.776238830e-01 4.26 -2.701797100e-01 -2.701797100e-01 4.28 -2.621849878e-01 -2.621849878e-01 4.30 -2.536725132e-01 -2.536725132e-01 4.32 -2.446862830e-01 -2.446862830e-01 4.34 -2.352716440e-01 -2.352716440e-01 4.36 -2.254795473e-01 -2.254795473e-01 4.38 -2.153682575e-01 -2.153682575e-01 4.40 -2.049704812e-01 -2.049704812e-01 4.42 -1.943818570e-01 -1.943818570e-01 4.44 -1.833755898e-01 -1.833755898e-01 4.46 -1.722084070e-01 -1.722084070e-01 4.48 -1.616097087e-01 -1.616097087e-01 4.50 -1.522986061e-01 -1.522986061e-01 4.52 -1.433594654e-01 -1.433594654e-01 4.54 -1.328430752e-01 -1.328430752e-01 4.56 -1.198149369e-01 -1.198149369e-01 4.58 -1.042437639e-01 -1.042437639e-01 4.60 -8.753116350e-02 -8.753116350e-02 4.62 -7.113700110e-02 -7.113700110e-02 4.64 -5.598272986e-02 -5.598272986e-02 4.66 -4.259420984e-02 -4.259420984e-02 4.68 -3.121140315e-02 -3.121140315e-02 4.70 -2.187937250e-02 -2.187937250e-02 4.72 -1.451917173e-02 -1.451917173e-02 4.74 -8.967915222e-03 -8.967915222e-03 4.76 -5.007907138e-03 -5.007907138e-03 4.78 -2.406928263e-03 -2.406928263e-03 4.80 -9.010536137e-04 -9.010536137e-04 4.82 -1.996250773e-04 -1.996250773e-04 4.84 -9.129180808e-06 -9.129180808e-06 4.86 6.923973927e-14 6.923973927e-14 4.88 6.923973927e-14 6.923973927e-14 4.90 6.923973927e-14 6.923973927e-14 4.92 6.923973927e-14 6.923973927e-14 4.94 6.923973927e-14 6.923973927e-14 4.96 6.923973927e-14 6.923973927e-14 4.98 6.923973927e-14 6.923973927e-14 5.00 6.923973927e-14 6.923973927e-14 5.02 6.923973927e-14 6.923973927e-14 5.04 6.923973927e-14 6.923973927e-14 5.06 6.923973927e-14 6.923973927e-14 5.08 6.923973927e-14 6.923973927e-14 5.10 6.923973927e-14 6.923973927e-14 5.12 6.923973927e-14 6.923973927e-14 5.14 6.923973927e-14 6.923973927e-14 5.16 6.923973927e-14 6.923973927e-14 5.18 6.923973927e-14 6.923973927e-14 5.20 6.923973927e-14 6.923973927e-14 5.22 6.923973927e-14 6.923973927e-14 5.24 6.923973927e-14 6.923973927e-14 5.26 6.923973927e-14 6.923973927e-14 5.28 6.923973927e-14 6.923973927e-14 5.30 6.923973927e-14 6.923973927e-14 5.32 6.923973927e-14 6.923973927e-14 5.34 6.923973927e-14 6.923973927e-14 5.36 6.923973927e-14 6.923973927e-14 5.38 6.923973927e-14 6.923973927e-14 5.40 6.923973927e-14 6.923973927e-14 5.42 6.923973927e-14 6.923973927e-14 5.44 6.923973927e-14 6.923973927e-14 5.46 6.923973927e-14 6.923973927e-14 5.48 6.923973927e-14 6.923973927e-14 5.50 6.923973927e-14 6.923973927e-14 5.52 6.923973927e-14 6.923973927e-14 5.54 6.923973927e-14 6.923973927e-14 5.56 6.923973927e-14 6.923973927e-14 5.58 6.923973927e-14 6.923973927e-14 5.60 6.923973927e-14 6.923973927e-14 5.62 6.923973927e-14 6.923973927e-14 5.64 6.923973927e-14 6.923973927e-14 5.66 6.923973927e-14 6.923973927e-14 5.68 6.923973927e-14 6.923973927e-14 5.70 6.923973927e-14 6.923973927e-14 5.72 6.923973927e-14 6.923973927e-14 5.74 6.923973927e-14 6.923973927e-14 5.76 6.923973927e-14 6.923973927e-14 5.78 6.923973927e-14 6.923973927e-14 5.80 6.923973927e-14 6.923973927e-14 5.82 6.923973927e-14 6.923973927e-14 5.84 6.923973927e-14 6.923973927e-14 5.86 6.923973927e-14 6.923973927e-14 5.88 6.923973927e-14 6.923973927e-14 5.90 6.923973927e-14 6.923973927e-14 5.92 6.923973927e-14 6.923973927e-14 5.94 6.923973927e-14 6.923973927e-14 5.96 6.923973927e-14 6.923973927e-14 5.98 6.923973927e-14 6.923973927e-14 6.00 6.923973927e-14 6.923973927e-14