# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2022--Lee-J-S-Chun-Y-B-Ko-W-S--Pt-Ti # implementation = 2022--Lee-J-S--Pt-Ti--LAMMPS--ipr1 # composition = Pt3Ti # 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 2026-08-31 r A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 1.789652555e+03 nan nan 0.86 1.658700514e+03 nan nan 0.88 1.537038339e+03 nan nan 0.90 1.424019887e+03 nan nan 0.92 1.319043229e+03 1.691386576e+03 nan 0.94 1.221547681e+03 1.579300897e+03 1.678969883e+03 0.96 1.131011011e+03 1.474324980e+03 1.571869181e+03 0.98 1.046946848e+03 1.376023074e+03 1.471297936e+03 1.00 9.689022549e+02 1.283985251e+03 1.376871344e+03 1.02 8.964554655e+02 1.197825926e+03 1.288226609e+03 1.04 8.292137711e+02 1.117182471e+03 1.205021721e+03 1.06 7.668115504e+02 1.041713893e+03 1.126934293e+03 1.08 7.089084286e+02 9.710995929e+02 1.053660475e+03 1.10 6.551875618e+02 9.050381861e+02 9.849139125e+02 1.12 6.053540341e+02 8.432463938e+02 9.204247677e+02 1.14 5.591333645e+02 7.854579921e+02 8.599387969e+02 1.16 5.162701119e+02 7.314228207e+02 8.032164729e+02 1.18 4.765265755e+02 6.809058473e+02 7.500321587e+02 1.20 4.396815812e+02 6.336862836e+02 7.001733244e+02 1.22 4.055293513e+02 5.895567512e+02 6.534398087e+02 1.24 3.738784489e+02 5.483224944e+02 6.096431193e+02 1.26 3.445507943e+02 5.098006375e+02 5.686057731e+02 1.28 3.173807481e+02 4.738194841e+02 5.301606718e+02 1.30 2.922142554e+02 4.402178562e+02 4.941505120e+02 1.32 2.689080492e+02 4.088444708e+02 4.604272285e+02 1.34 2.473289064e+02 3.795573520e+02 4.288514673e+02 1.36 2.273529558e+02 3.522232775e+02 3.992920890e+02 1.38 2.088650316e+02 3.267172555e+02 3.716256986e+02 1.40 1.917580719e+02 3.029220333e+02 3.457362022e+02 1.42 1.759325582e+02 2.807276328e+02 3.215143880e+02 1.44 1.612959919e+02 2.600309140e+02 2.988575307e+02 1.46 1.477624083e+02 2.407351628e+02 2.776690180e+02 1.48 1.352519222e+02 2.227497038e+02 2.578579979e+02 1.50 1.236903056e+02 2.059895351e+02 2.393390462e+02 1.52 1.130085937e+02 1.903749841e+02 2.220318516e+02 1.54 1.031427184e+02 1.758313844e+02 2.058609198e+02 1.56 9.403316637e+01 1.622887708e+02 1.907552933e+02 1.58 8.562466135e+01 1.496815925e+02 1.766482874e+02 1.60 7.786586749e+01 1.379484438e+02 1.634772410e+02 1.62 7.070911367e+01 1.270318095e+02 1.511832816e+02 1.64 6.411013658e+01 1.168778269e+02 1.397111033e+02 1.66 5.802784160e+01 1.074360605e+02 1.290087580e+02 1.68 5.242408015e+01 9.865929112e+01 1.190274578e+02 1.70 4.726344245e+01 9.050331715e+01 1.097213891e+02 1.72 4.251306465e+01 8.292676781e+01 1.010475372e+02 1.74 3.814244927e+01 7.589092752e+01 9.296552100e+01 1.76 3.412329811e+01 6.935957094e+01 8.543743671e+01 1.78 3.042935683e+01 6.329880787e+01 7.842771131e+01 1.80 2.703627021e+01 5.767693746e+01 7.190296383e+01 1.82 2.392144761e+01 5.246431136e+01 6.583187479e+01 1.84 2.106393771e+01 4.763320503e+01 6.018506324e+01 1.86 1.844431204e+01 4.315769697e+01 5.493497082e+01 1.88 1.604455661e+01 3.901355522e+01 5.005575262e+01 1.90 1.384797118e+01 3.517813083e+01 4.552317424e+01 1.92 1.183907547e+01 3.163025782e+01 4.131451498e+01 1.94 1.000352206e+01 2.835015925e+01 3.740847659e+01 1.96 8.328015323e+00 2.531935913e+01 3.378509732e+01 1.98 6.800236079e+00 2.252059959e+01 3.042567107e+01 2.00 5.408771552e+00 1.993776335e+01 2.731267122e+01 2.02 4.143050247e+00 1.755580083e+01 2.442967893e+01 2.04 2.993281426e+00 1.536066181e+01 2.176131568e+01 2.06 1.950398850e+00 1.333923136e+01 1.929317978e+01 2.08 1.006008501e+00 1.147926972e+01 1.701178662e+01 2.10 1.523399965e-01 9.769355923e+00 1.490451244e+01 2.12 -6.177985429e-01 8.198834939e+00 1.295954143e+01 2.14 -1.311062439e+00 6.757768130e+00 1.116581604e+01 2.16 -1.933609410e+00 5.436886796e+00 9.512990156e+00 2.18 -2.491135762e+00 4.227548649e+00 7.991385085e+00 2.20 -2.988910000e+00 3.121697020e+00 6.591948229e+00 2.22 -3.431804050e+00 2.111822630e+00 5.306214166e+00 2.24 -3.824322302e+00 1.190927783e+00 4.126268093e+00 2.26 -4.170628269e+00 3.524928287e-01 3.044711466e+00 2.28 -4.474569877e+00 -4.095552583e-01 2.054629705e+00 2.30 -4.739702605e+00 -1.100872296e+00 1.149561846e+00 2.32 -4.969310905e+00 -1.726724439e+00 3.234720351e-01 2.34 -5.166428237e+00 -2.292013967e+00 -4.292772569e-01 2.36 -5.333855603e+00 -2.801303423e+00 -1.113950389e+00 2.38 -5.474178760e+00 -3.258838202e+00 -1.735462177e+00 2.40 -5.589784171e+00 -3.668567695e+00 -2.298400073e+00 2.42 -5.682873818e+00 -4.034165066e+00 -2.807044998e+00 2.44 -5.755478928e+00 -4.359045754e+00 -3.265390893e+00 2.46 -5.809475278e+00 -4.646384784e+00 -3.677163067e+00 2.48 -5.846621207e+00 -4.899132947e+00 -4.045835426e+00 2.50 -5.868488066e+00 -5.120031940e+00 -4.374646627e+00 2.52 -5.876479389e+00 -5.311628514e+00 -4.666615244e+00 2.54 -5.871995533e+00 -5.476287700e+00 -4.924553988e+00 2.56 -5.856280397e+00 -5.616205169e+00 -5.151083047e+00 2.58 -5.830478817e+00 -5.733418785e+00 -5.348642594e+00 2.60 -5.795644413e+00 -5.829819400e+00 -5.519504517e+00 2.62 -5.752746617e+00 -5.907160930e+00 -5.665783413e+00 2.64 -5.702676054e+00 -5.967069778e+00 -5.789446895e+00 2.66 -5.646251491e+00 -6.011053620e+00 -5.892325248e+00 2.68 -5.584225030e+00 -6.040509620e+00 -5.976120482e+00 2.70 -5.517287193e+00 -6.056732091e+00 -6.042414807e+00 2.72 -5.446071636e+00 -6.060919976e+00 -6.092678578e+00 2.74 -5.371159493e+00 -6.054184099e+00 -6.128277728e+00 2.76 -5.293083414e+00 -6.037548731e+00 -6.150480737e+00 2.78 -5.212331280e+00 -6.011962681e+00 -6.160465151e+00 2.80 -5.129349650e+00 -5.978306228e+00 -6.159323681e+00 2.82 -5.044546938e+00 -5.937391068e+00 -6.148069919e+00 2.84 -4.958296357e+00 -5.889967077e+00 -6.127643679e+00 2.86 -4.870938625e+00 -5.836726704e+00 -6.098915998e+00 2.88 -4.782784482e+00 -5.778309053e+00 -6.062693811e+00 2.90 -4.694116992e+00 -5.715303695e+00 -6.019724325e+00 2.92 -4.605193686e+00 -5.648254211e+00 -5.970699105e+00 2.94 -4.516248526e+00 -5.577661495e+00 -5.916257897e+00 2.96 -4.427493724e+00 -5.503986830e+00 -5.856992201e+00 2.98 -4.339121413e+00 -5.427654743e+00 -5.793448605e+00 3.00 -4.251305190e+00 -5.349055670e+00 -5.726131902e+00 3.02 -4.164201536e+00 -5.268548432e+00 -5.655508006e+00 3.04 -4.077951121e+00 -5.186462533e+00 -5.582006664e+00 3.06 -3.992680008e+00 -5.103100304e+00 -5.506024001e+00 3.08 -3.908500756e+00 -5.018738888e+00 -5.427924882e+00 3.10 -3.825513439e+00 -4.933632090e+00 -5.348045123e+00 3.12 -3.743806574e+00 -4.848012093e+00 -5.266667812e+00 3.14 -3.663457978e+00 -4.762091051e+00 -5.181254473e+00 3.16 -3.584535553e+00 -4.676062565e+00 -5.079538700e+00 3.18 -3.507098001e+00 -4.590103061e+00 -4.965044992e+00 3.20 -3.431195484e+00 -4.504373060e+00 -4.881307095e+00 3.22 -3.356870223e+00 -4.419018357e+00 -4.797897273e+00 3.24 -3.284157045e+00 -4.334171120e+00 -4.714382087e+00 3.26 -3.213083886e+00 -4.249950898e+00 -4.630928504e+00 3.28 -3.143672246e+00 -4.166465564e+00 -4.547688748e+00 3.30 -3.075937606e+00 -4.083812183e+00 -4.464801379e+00 3.32 -3.009889804e+00 -4.002077817e+00 -4.382392296e+00 3.34 -2.945533386e+00 -3.921340268e+00 -4.300575674e+00 3.36 -2.882867917e+00 -3.841668768e+00 -4.219454827e+00 3.38 -2.821888270e+00 -3.763124611e+00 -4.139123015e+00 3.40 -2.762584895e+00 -3.685761742e+00 -4.059664191e+00 3.42 -2.704944055e+00 -3.609627301e+00 -3.981153693e+00 3.44 -2.648948062e+00 -3.534762116e+00 -3.903658892e+00 3.46 -2.594575483e+00 -3.461201172e+00 -3.827239781e+00 3.48 -2.541801339e+00 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