# 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 = H2HeW # 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 8.550352181e+02 8.550352181e+02 0.92 7.560335737e+02 7.560335737e+02 0.94 6.658751385e+02 6.658751385e+02 0.96 5.838789996e+02 5.838789996e+02 0.98 5.094813293e+02 5.094813293e+02 1.00 4.436460715e+02 4.436460715e+02 1.02 3.864515649e+02 3.864515649e+02 1.04 3.366986945e+02 3.366986945e+02 1.06 2.931955025e+02 2.931955025e+02 1.08 2.549336528e+02 2.549336528e+02 1.10 2.212669833e+02 2.212669833e+02 1.12 1.917349033e+02 1.917349033e+02 1.14 1.658208267e+02 1.658208267e+02 1.16 1.431024141e+02 1.431024141e+02 1.18 1.232401678e+02 1.232401678e+02 1.20 1.059222000e+02 1.059222000e+02 1.22 9.086986913e+01 9.086986913e+01 1.24 7.783280078e+01 7.783280078e+01 1.26 6.658625519e+01 6.658625519e+01 1.28 5.692773528e+01 5.692773528e+01 1.30 4.866931753e+01 4.866931753e+01 1.32 4.161763360e+01 4.161763360e+01 1.34 3.558061808e+01 3.558061808e+01 1.36 3.038141402e+01 3.038141402e+01 1.38 2.587998650e+01 2.587998650e+01 1.40 2.198074306e+01 2.198074306e+01 1.42 1.861319236e+01 1.861319236e+01 1.44 1.572309648e+01 1.572309648e+01 1.46 1.324319911e+01 1.324319911e+01 1.48 1.110693988e+01 1.110693988e+01 1.50 9.255881414e+00 9.255881414e+00 1.52 7.639431965e+00 7.639431965e+00 1.54 6.217483224e+00 6.217483224e+00 1.56 4.959877602e+00 4.959877602e+00 1.58 3.845906373e+00 3.845906373e+00 1.60 2.863386732e+00 2.863386732e+00 1.62 2.009353778e+00 2.009353778e+00 1.64 1.287752378e+00 1.287752378e+00 1.66 6.944932787e-01 6.944932787e-01 1.68 2.208676493e-01 2.208676493e-01 1.70 -1.472809471e-01 -1.472809471e-01 1.72 -4.272662897e-01 -4.272662897e-01 1.74 -6.346847846e-01 -6.346847846e-01 1.76 -7.848911092e-01 -7.848911092e-01 1.78 -8.935873453e-01 -8.935873453e-01 1.80 -9.767724360e-01 -9.767724360e-01 1.82 -1.049668525e+00 -1.049668525e+00 1.84 -1.122369694e+00 -1.122369694e+00 1.86 -1.200875467e+00 -1.200875467e+00 1.88 -1.287274366e+00 -1.287274366e+00 1.90 -1.378769524e+00 -1.378769524e+00 1.92 -1.469499599e+00 -1.469499599e+00 1.94 -1.555389292e+00 -1.555389292e+00 1.96 -1.634953087e+00 -1.634953087e+00 1.98 -1.709062976e+00 -1.709062976e+00 2.00 -1.778170685e+00 -1.778170685e+00 2.02 -1.842279285e+00 -1.842279285e+00 2.04 -1.900941356e+00 -1.900941356e+00 2.06 -1.951842725e+00 -1.951842725e+00 2.08 -1.981678332e+00 -1.981678332e+00 2.10 -1.988175255e+00 -1.988175255e+00 2.12 -1.981437488e+00 -1.981437488e+00 2.14 -1.971032290e+00 -1.971032290e+00 2.16 -1.959897751e+00 -1.959897751e+00 2.18 -1.944313089e+00 -1.944313089e+00 2.20 -1.918187516e+00 -1.918187516e+00 2.22 -1.882996451e+00 -1.882996451e+00 2.24 -1.840812455e+00 -1.840812455e+00 2.26 -1.793047644e+00 -1.793047644e+00 2.28 -1.740856865e+00 -1.740856865e+00 2.30 -1.685391615e+00 -1.685391615e+00 2.32 -1.627943867e+00 -1.627943867e+00 2.34 -1.569988704e+00 -1.569988704e+00 2.36 -1.512996909e+00 -1.512996909e+00 2.38 -1.458393450e+00 -1.458393450e+00 2.40 -1.407517106e+00 -1.407517106e+00 2.42 -1.361496447e+00 -1.361496447e+00 2.44 -1.321122779e+00 -1.321122779e+00 2.46 -1.286746518e+00 -1.286746518e+00 2.48 -1.258161523e+00 -1.258161523e+00 2.50 -1.234487917e+00 -1.234487917e+00 2.52 -1.214060311e+00 -1.214060311e+00 2.54 -1.194347140e+00 -1.194347140e+00 2.56 -1.173467322e+00 -1.173467322e+00 2.58 -1.151522467e+00 -1.151522467e+00 2.60 -1.128844353e+00 -1.128844353e+00 2.62 -1.105828799e+00 -1.105828799e+00 2.64 -1.082944294e+00 -1.082944294e+00 2.66 -1.060735348e+00 -1.060735348e+00 2.68 -1.039820564e+00 -1.039820564e+00 2.70 -1.020884768e+00 -1.020884768e+00 2.72 -1.004661491e+00 -1.004661491e+00 2.74 -9.918522269e-01 -9.918522269e-01 2.76 -9.828268333e-01 -9.828268333e-01 2.78 -9.776729901e-01 -9.776729901e-01 2.80 -9.762181911e-01 -9.762181911e-01 2.82 -9.780086895e-01 -9.780086895e-01 2.84 -9.823204667e-01 -9.823204667e-01 2.86 -9.882529558e-01 -9.882529558e-01 2.88 -9.952515961e-01 -9.952515961e-01 2.90 -1.003024949e+00 -1.003024949e+00 2.92 -1.011244893e+00 -1.011244893e+00 2.94 -1.019607232e+00 -1.019607232e+00 2.96 -1.027823206e+00 -1.027823206e+00 2.98 -1.035624525e+00 -1.035624525e+00 3.00 -1.042765512e+00 -1.042765512e+00 3.02 -1.049041963e+00 -1.049041963e+00 3.04 -1.054270953e+00 -1.054270953e+00 3.06 -1.058266723e+00 -1.058266723e+00 3.08 -1.060903397e+00 -1.060903397e+00 3.10 -1.062274975e+00 -1.062274975e+00 3.12 -1.062510284e+00 -1.062510284e+00 3.14 -1.061723813e+00 -1.061723813e+00 3.16 -1.060015792e+00 -1.060015792e+00 3.18 -1.057475765e+00 -1.057475765e+00 3.20 -1.054180144e+00 -1.054180144e+00 3.22 -1.050195322e+00 -1.050195322e+00 3.24 -1.045577007e+00 -1.045577007e+00 3.26 -1.040371405e+00 -1.040371405e+00 3.28 -1.034616948e+00 -1.034616948e+00 3.30 -1.028340404e+00 -1.028340404e+00 3.32 -1.021558298e+00 -1.021558298e+00 3.34 -1.014277648e+00 -1.014277648e+00 3.36 -1.006499863e+00 -1.006499863e+00 3.38 -9.982175728e-01 -9.982175728e-01 3.40 -9.894174551e-01 -9.894174551e-01 3.42 -9.800808331e-01 -9.800808331e-01 3.44 -9.701836394e-01 -9.701836394e-01 3.46 -9.596986439e-01 -9.596986439e-01 3.48 -9.485941745e-01 -9.485941745e-01 3.50 -9.368379987e-01 -9.368379987e-01 3.52 -9.243990719e-01 -9.243990719e-01 3.54 -9.112450968e-01 -9.112450968e-01 3.56 -8.973514158e-01 -8.973514158e-01 3.58 -8.826985933e-01 -8.826985933e-01 3.60 -8.672772104e-01 -8.672772104e-01 3.62 -8.510892701e-01 -8.510892701e-01 3.64 -8.341520253e-01 -8.341520253e-01 3.66 -8.164973611e-01 -8.164973611e-01 3.68 -7.981756617e-01 -7.981756617e-01 3.70 -7.792507757e-01 -7.792507757e-01 3.72 -7.597988930e-01 -7.597988930e-01 3.74 -7.399188533e-01 -7.399188533e-01 3.76 -7.196820284e-01 -7.196820284e-01 3.78 -6.992267087e-01 -6.992267087e-01 3.80 -6.784123938e-01 -6.784123938e-01 3.82 -6.574350040e-01 -6.574350040e-01 3.84 -6.370734169e-01 -6.370734169e-01 3.86 -6.180870912e-01 -6.180870912e-01 3.88 -5.997682242e-01 -5.997682242e-01 3.90 -5.800473619e-01 -5.800473619e-01 3.92 -5.578542741e-01 -5.578542741e-01 3.94 -5.330724469e-01 -5.330724469e-01 3.96 -5.071088958e-01 -5.071088958e-01 3.98 -4.815198249e-01 -4.815198249e-01 4.00 -4.573013615e-01 -4.573013615e-01 4.02 -4.350229075e-01 -4.350229075e-01 4.04 -4.149444642e-01 -4.149444642e-01 4.06 -3.971017905e-01 -3.971017905e-01 4.08 -3.812972148e-01 -3.812972148e-01 4.10 -3.672003170e-01 -3.672003170e-01 4.12 -3.544594654e-01 -3.544594654e-01 4.14 -3.426992580e-01 -3.426992580e-01 4.16 -3.315476263e-01 -3.315476263e-01 4.18 -3.206233801e-01 -3.206233801e-01 4.20 -3.095350092e-01 -3.095350092e-01 4.22 -2.979411470e-01 -2.979411470e-01 4.24 -2.857711211e-01 -2.857711211e-01 4.26 -2.730419991e-01 -2.730419991e-01 4.28 -2.597918033e-01 -2.597918033e-01 4.30 -2.459309326e-01 -2.459309326e-01 4.32 -2.317255306e-01 -2.317255306e-01 4.34 -2.178176988e-01 -2.178176988e-01 4.36 -2.040773617e-01 -2.040773617e-01 4.38 -1.890968463e-01 -1.890968463e-01 4.40 -1.723487358e-01 -1.723487358e-01 4.42 -1.543498668e-01 -1.543498668e-01 4.44 -1.363414641e-01 -1.363414641e-01 4.46 -1.191264730e-01 -1.191264730e-01 4.48 -1.031284580e-01 -1.031284580e-01 4.50 -8.853119696e-02 -8.853119696e-02 4.52 -7.538119954e-02 -7.538119954e-02 4.54 -6.364864860e-02 -6.364864860e-02 4.56 -5.326486118e-02 -5.326486118e-02 4.58 -4.414114648e-02 -4.414114648e-02 4.60 -3.617675677e-02 -3.617675677e-02 4.62 -2.925785352e-02 -2.925785352e-02 4.64 -2.325597681e-02 -2.325597681e-02 4.66 -1.802667833e-02 -1.802667833e-02 4.68 -1.350544506e-02 -1.350544506e-02 4.70 -9.698129139e-03 -9.698129139e-03 4.72 -6.595126801e-03 -6.595126801e-03 4.74 -4.173149813e-03 -4.173149813e-03 4.76 -2.386398660e-03 -2.386398660e-03 4.78 -1.173868123e-03 -1.173868123e-03 4.80 -4.477434779e-04 -4.477434779e-04 4.82 -1.025451111e-04 -1.025451111e-04 4.84 -4.322683705e-06 -4.322683705e-06 4.86 8.098382398e-14 8.098382398e-14 4.88 8.098382398e-14 8.098382398e-14 4.90 8.098382398e-14 8.098382398e-14 4.92 8.098382398e-14 8.098382398e-14 4.94 8.098382398e-14 8.098382398e-14 4.96 8.098382398e-14 8.098382398e-14 4.98 8.098382398e-14 8.098382398e-14 5.00 8.098382398e-14 8.098382398e-14 5.02 8.098382398e-14 8.098382398e-14 5.04 8.098382398e-14 8.098382398e-14 5.06 8.098382398e-14 8.098382398e-14 5.08 8.098382398e-14 8.098382398e-14 5.10 8.098382398e-14 8.098382398e-14 5.12 8.098382398e-14 8.098382398e-14 5.14 8.098382398e-14 8.098382398e-14 5.16 8.098382398e-14 8.098382398e-14 5.18 8.098382398e-14 8.098382398e-14 5.20 8.098382398e-14 8.098382398e-14 5.22 8.098382398e-14 8.098382398e-14 5.24 8.098382398e-14 8.098382398e-14 5.26 8.098382398e-14 8.098382398e-14 5.28 8.098382398e-14 8.098382398e-14 5.30 8.098382398e-14 8.098382398e-14 5.32 8.098382398e-14 8.098382398e-14 5.34 8.098382398e-14 8.098382398e-14 5.36 8.098382398e-14 8.098382398e-14 5.38 8.098382398e-14 8.098382398e-14 5.40 8.098382398e-14 8.098382398e-14 5.42 8.098382398e-14 8.098382398e-14 5.44 8.098382398e-14 8.098382398e-14 5.46 8.098382398e-14 8.098382398e-14 5.48 8.098382398e-14 8.098382398e-14 5.50 8.098382398e-14 8.098382398e-14 5.52 8.098382398e-14 8.098382398e-14 5.54 8.098382398e-14 8.098382398e-14 5.56 8.098382398e-14 8.098382398e-14 5.58 8.098382398e-14 8.098382398e-14 5.60 8.098382398e-14 8.098382398e-14 5.62 8.098382398e-14 8.098382398e-14 5.64 8.098382398e-14 8.098382398e-14 5.66 8.098382398e-14 8.098382398e-14 5.68 8.098382398e-14 8.098382398e-14 5.70 8.098382398e-14 8.098382398e-14 5.72 8.098382398e-14 8.098382398e-14 5.74 8.098382398e-14 8.098382398e-14 5.76 8.098382398e-14 8.098382398e-14 5.78 8.098382398e-14 8.098382398e-14 5.80 8.098382398e-14 8.098382398e-14 5.82 8.098382398e-14 8.098382398e-14 5.84 8.098382398e-14 8.098382398e-14 5.86 8.098382398e-14 8.098382398e-14 5.88 8.098382398e-14 8.098382398e-14 5.90 8.098382398e-14 8.098382398e-14 5.92 8.098382398e-14 8.098382398e-14 5.94 8.098382398e-14 8.098382398e-14 5.96 8.098382398e-14 8.098382398e-14 5.98 8.098382398e-14 8.098382398e-14 6.00 8.098382398e-14 8.098382398e-14