# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Zhou-X-W-Doty-F-P-Yang-P--Li-Na-K-Rb-Cs-F-Cl-Br-I # implementation = 2011--Zhou-X-W--Li-Na-K-Rb-Cs-F-Cl-Br-I--LAMMPS--ipr1 # composition = ClLi2Na # 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 2022-05-24 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 1.331912389e+04 1.331912389e+04 1.22 1.075270176e+04 1.075270176e+04 1.24 8.712352600e+03 8.712352600e+03 1.26 7.083978413e+03 7.083978413e+03 1.28 5.779520982e+03 5.779520982e+03 1.30 4.730906696e+03 4.730906696e+03 1.32 3.884940754e+03 3.884940754e+03 1.34 3.200111055e+03 3.200111055e+03 1.36 2.643923654e+03 2.643923654e+03 1.38 2.190787078e+03 2.190787078e+03 1.40 1.820449109e+03 1.820449109e+03 1.42 1.516874329e+03 1.516874329e+03 1.44 1.267308162e+03 1.267308162e+03 1.46 1.061555765e+03 1.061555765e+03 1.48 8.914345459e+02 8.914345459e+02 1.50 7.503968273e+02 7.503968273e+02 1.52 6.331633784e+02 6.331633784e+02 1.54 5.354670586e+02 5.354670586e+02 1.56 4.538523108e+02 4.538523108e+02 1.58 3.854693968e+02 3.854693968e+02 1.60 3.280493971e+02 3.280493971e+02 1.62 2.797382499e+02 2.797382499e+02 1.64 2.389879412e+02 2.389879412e+02 1.66 2.045388770e+02 2.045388770e+02 1.68 1.753514726e+02 1.753514726e+02 1.70 1.505574101e+02 1.505574101e+02 1.72 1.294614297e+02 1.294614297e+02 1.74 1.114757635e+02 1.114757635e+02 1.76 9.610887423e+01 9.610887423e+01 1.78 8.295249670e+01 8.295249670e+01 1.80 7.166689546e+01 7.166689546e+01 1.82 6.196566865e+01 6.196566865e+01 1.84 5.361169324e+01 5.361169324e+01 1.86 4.640296606e+01 4.640296606e+01 1.88 4.017326118e+01 4.017326118e+01 1.90 3.477905062e+01 3.477905062e+01 1.92 3.009979303e+01 3.009979303e+01 1.94 2.603353603e+01 2.603353603e+01 1.96 2.249329907e+01 2.249329907e+01 1.98 1.940517152e+01 1.940517152e+01 2.00 1.670563216e+01 1.670563216e+01 2.02 1.434093472e+01 1.434093472e+01 2.04 1.226439421e+01 1.226439421e+01 2.06 1.043785668e+01 1.043785668e+01 2.08 8.831072501e+00 8.831072501e+00 2.10 7.414330255e+00 7.414330255e+00 2.12 6.163582809e+00 6.163582809e+00 2.14 5.058140195e+00 5.058140195e+00 2.16 4.079478353e+00 4.079478353e+00 2.18 3.213056820e+00 3.213056820e+00 2.20 2.445624669e+00 2.445624669e+00 2.22 1.765721827e+00 1.765721827e+00 2.24 1.163550924e+00 1.163550924e+00 2.26 6.305583654e-01 6.305583654e-01 2.28 1.592759574e-01 1.592759574e-01 2.30 -2.570182317e-01 -2.570182317e-01 2.32 -6.244835852e-01 -6.244835852e-01 2.34 -9.491010263e-01 -9.491010263e-01 2.36 -1.234658369e+00 -1.234658369e+00 2.38 -1.484582307e+00 -1.484582307e+00 2.40 -1.702161177e+00 -1.702161177e+00 2.42 -1.890620181e+00 -1.890620181e+00 2.44 -2.053086297e+00 -2.053086297e+00 2.46 -2.192485120e+00 -2.192485120e+00 2.48 -2.310940430e+00 -2.310940430e+00 2.50 -2.411050941e+00 -2.411050941e+00 2.52 -2.494500953e+00 -2.494500953e+00 2.54 -2.562987042e+00 -2.562987042e+00 2.56 -2.618147204e+00 -2.618147204e+00 2.58 -2.661440223e+00 -2.661440223e+00 2.60 -2.694164345e+00 -2.694164345e+00 2.62 -2.717479734e+00 -2.717479734e+00 2.64 -2.732531082e+00 -2.732531082e+00 2.66 -2.740073584e+00 -2.740073584e+00 2.68 -2.740855074e+00 -2.740855074e+00 2.70 -2.735668762e+00 -2.735668762e+00 2.72 -2.725198935e+00 -2.725198935e+00 2.74 -2.710021352e+00 -2.710021352e+00 2.76 -2.690746169e+00 -2.690746169e+00 2.78 -2.668088064e+00 -2.668088064e+00 2.80 -2.642049907e+00 -2.642049907e+00 2.82 -2.613045603e+00 -2.613045603e+00 2.84 -2.581377859e+00 -2.581377859e+00 2.86 -2.547504788e+00 -2.547504788e+00 2.88 -2.511559145e+00 -2.511559145e+00 2.90 -2.473761749e+00 -2.473761749e+00 2.92 -2.434360480e+00 -2.434360480e+00 2.94 -2.393573774e+00 -2.393573774e+00 2.96 -2.351715681e+00 -2.351715681e+00 2.98 -2.308872226e+00 -2.308872226e+00 3.00 -2.265152584e+00 -2.265152584e+00 3.02 -2.220701889e+00 -2.220701889e+00 3.04 -2.175778691e+00 -2.175778691e+00 3.06 -2.130377359e+00 -2.130377359e+00 3.08 -2.084571534e+00 -2.084571534e+00 3.10 -2.038467596e+00 -2.038467596e+00 3.12 -1.992167966e+00 -1.992167966e+00 3.14 -1.945815946e+00 -1.945815946e+00 3.16 -1.899426058e+00 -1.899426058e+00 3.18 -1.853080067e+00 -1.853080067e+00 3.20 -1.806856971e+00 -1.806856971e+00 3.22 -1.760832925e+00 -1.760832925e+00 3.24 -1.715082517e+00 -1.715082517e+00 3.26 -1.669679327e+00 -1.669679327e+00 3.28 -1.624938760e+00 -1.624938760e+00 3.30 -1.580739561e+00 -1.580739561e+00 3.32 -1.537033333e+00 -1.537033333e+00 3.34 -1.493903224e+00 -1.493903224e+00 3.36 -1.451428967e+00 -1.451428967e+00 3.38 -1.409686563e+00 -1.409686563e+00 3.40 -1.368747802e+00 -1.368747802e+00 3.42 -1.328679677e+00 -1.328679677e+00 3.44 -1.289543715e+00 -1.289543715e+00 3.46 -1.251395279e+00 -1.251395279e+00 3.48 -1.214282881e+00 -1.214282881e+00 3.50 -1.178247554e+00 -1.178247554e+00 3.52 -1.143322310e+00 -1.143322310e+00 3.54 -1.109531617e+00 -1.109531617e+00 3.56 -1.076891364e+00 -1.076891364e+00 3.58 -1.045408879e+00 -1.045408879e+00 3.60 -1.015082647e+00 -1.015082647e+00 3.62 -9.859027798e-01 -9.859027798e-01 3.64 -9.579505730e-01 -9.579505730e-01 3.66 -9.310986487e-01 -9.310986487e-01 3.68 -9.053038240e-01 -9.053038240e-01 3.70 -8.805303409e-01 -8.805303409e-01 3.72 -8.568987188e-01 -8.568987188e-01 3.74 -8.342109373e-01 -8.342109373e-01 3.76 -8.123776123e-01 -8.123776123e-01 3.78 -7.913546855e-01 -7.913546855e-01 3.80 -7.710953273e-01 -7.710953273e-01 3.82 -7.515660698e-01 -7.515660698e-01 3.84 -7.327084253e-01 -7.327084253e-01 3.86 -7.144745490e-01 -7.144745490e-01 3.88 -6.968202885e-01 -6.968202885e-01 3.90 -6.797034027e-01 -6.797034027e-01 3.92 -6.630839594e-01 -6.630839594e-01 3.94 -6.469246246e-01 -6.469246246e-01 3.96 -6.312021680e-01 -6.312021680e-01 3.98 -6.159200477e-01 -6.159200477e-01 4.00 -6.009914994e-01 -6.009914994e-01 4.02 -5.863924110e-01 -5.863924110e-01 4.04 -5.723318553e-01 -5.723318553e-01 4.06 -5.585400788e-01 -5.585400788e-01 4.08 -5.449708096e-01 -5.449708096e-01 4.10 -5.316183290e-01 -5.316183290e-01 4.12 -5.184773358e-01 -5.184773358e-01 4.14 -5.055429308e-01 -5.055429308e-01 4.16 -4.928105981e-01 -4.928105981e-01 4.18 -4.802761838e-01 -4.802761838e-01 4.20 -4.679358737e-01 -4.679358737e-01 4.22 -4.557856570e-01 -4.557856570e-01 4.24 -4.439848503e-01 -4.439848503e-01 4.26 -4.323515226e-01 -4.323515226e-01 4.28 -4.208773890e-01 -4.208773890e-01 4.30 -4.095627994e-01 -4.095627994e-01 4.32 -3.984080131e-01 -3.984080131e-01 4.34 -3.874130741e-01 -3.874130741e-01 4.36 -3.765781898e-01 -3.765781898e-01 4.38 -3.659034513e-01 -3.659034513e-01 4.40 -3.553888392e-01 -3.553888392e-01 4.42 -3.450342899e-01 -3.450342899e-01 4.44 -3.348397061e-01 -3.348397061e-01 4.46 -3.248049678e-01 -3.248049678e-01 4.48 -3.149299434e-01 -3.149299434e-01 4.50 -3.052169888e-01 -3.052169888e-01 4.52 -2.958391975e-01 -2.958391975e-01 4.54 -2.865977981e-01 -2.865977981e-01 4.56 -2.774929866e-01 -2.774929866e-01 4.58 -2.685274768e-01 -2.685274768e-01 4.60 -2.597036208e-01 -2.597036208e-01 4.62 -2.510233703e-01 -2.510233703e-01 4.64 -2.424870071e-01 -2.424870071e-01 4.66 -2.340986708e-01 -2.340986708e-01 4.68 -2.258600521e-01 -2.258600521e-01 4.70 -2.177727383e-01 -2.177727383e-01 4.72 -2.098382260e-01 -2.098382260e-01 4.74 -2.020579314e-01 -2.020579314e-01 4.76 -1.944331976e-01 -1.944331976e-01 4.78 -1.869652993e-01 -1.869652993e-01 4.80 -1.796554457e-01 -1.796554457e-01 4.82 -1.725047801e-01 -1.725047801e-01 4.84 -1.655143779e-01 -1.655143779e-01 4.86 -1.586852428e-01 -1.586852428e-01 4.88 -1.520183011e-01 -1.520183011e-01 4.90 -1.455143945e-01 -1.455143945e-01 4.92 -1.391742720e-01 -1.391742720e-01 4.94 -1.329985804e-01 -1.329985804e-01 4.96 -1.269878548e-01 -1.269878548e-01 4.98 -1.211425077e-01 -1.211425077e-01 5.00 -1.154628189e-01 -1.154628189e-01 5.02 -1.099489252e-01 -1.099489252e-01 5.04 -1.046008097e-01 -1.046008097e-01 5.06 -9.941829290e-02 -9.941829290e-02 5.08 -9.440102316e-02 -9.440102316e-02 5.10 -8.954846910e-02 -8.954846910e-02 5.12 -8.485991248e-02 -8.485991248e-02 5.14 -8.033444240e-02 -8.033444240e-02 5.16 -7.597095081e-02 -7.597095081e-02 5.18 -7.176812936e-02 -7.176812936e-02 5.20 -6.772446768e-02 -6.772446768e-02 5.22 -6.383825312e-02 -6.383825312e-02 5.24 -6.011296280e-02 -6.011296280e-02 5.26 -5.660798736e-02 -5.660798736e-02 5.28 -5.324388072e-02 -5.324388072e-02 5.30 -5.001939031e-02 -5.001939031e-02 5.32 -4.693285782e-02 -4.693285782e-02 5.34 -4.398235417e-02 -4.398235417e-02 5.36 -4.116569596e-02 -4.116569596e-02 5.38 -3.848046269e-02 -3.848046269e-02 5.40 -3.592408043e-02 -3.592408043e-02 5.42 -3.349367159e-02 -3.349367159e-02 5.44 -3.118616364e-02 -3.118616364e-02 5.46 -2.899837385e-02 -2.899837385e-02 5.48 -2.692697494e-02 -2.692697494e-02 5.50 -2.496851420e-02 -2.496851420e-02 5.52 -2.311943233e-02 -2.311943233e-02 5.54 -2.137608198e-02 -2.137608198e-02 5.56 -1.973474594e-02 -1.973474594e-02 5.58 -1.819165478e-02 -1.819165478e-02 5.60 -1.674300384e-02 -1.674300384e-02 5.62 -1.538496961e-02 -1.538496961e-02 5.64 -1.411372528e-02 -1.411372528e-02 5.66 -1.292545547e-02 -1.292545547e-02 5.68 -1.181637009e-02 -1.181637009e-02 5.70 -1.078271727e-02 -1.078271727e-02 5.72 -9.820795297e-03 -9.820795297e-03 5.74 -8.926963597e-03 -8.926963597e-03 5.76 -8.097652716e-03 -8.097652716e-03 5.78 -7.329373281e-03 -7.329373281e-03 5.80 -6.618723975e-03 -6.618723975e-03 5.82 -5.962398517e-03 -5.962398517e-03 5.84 -5.357191674e-03 -5.357191674e-03 5.86 -4.800004334e-03 -4.800004334e-03 5.88 -4.287847661e-03 -4.287847661e-03 5.90 -3.817846382e-03 -3.817846382e-03 5.92 -3.387241237e-03 -3.387241237e-03 5.94 -2.993390643e-03 -2.993390643e-03 5.96 -2.633771621e-03 -2.633771621e-03 5.98 -2.305990240e-03 -2.305990240e-03 6.00 -2.007775061e-03 -2.007775061e-03