# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Liu-X-Y-Ercolessi-F-Adams-J-B--Al # implementation = 2004--Liu-X-Y--Al--LAMMPS--ipr1 # composition = Al # 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 A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan 1.667376026e+02 nan 0.78 nan nan nan nan nan nan nan nan 1.533660595e+02 nan 0.80 nan nan nan nan nan nan nan nan 1.412052336e+02 nan 0.82 nan nan nan nan nan 1.109148267e+02 nan nan 1.300782317e+02 nan 0.84 nan nan nan nan nan 1.027878847e+02 nan nan 1.199191752e+02 nan 0.86 nan nan nan nan nan 9.550264506e+01 nan nan 1.107250977e+02 nan 0.88 nan nan nan nan nan 8.888731892e+01 nan nan 1.023988404e+02 nan 0.90 nan nan nan nan nan 8.289746764e+01 nan nan 9.490619671e+01 nan 0.92 nan nan nan 1.774635735e+02 1.773153673e+02 7.738171981e+01 nan nan 8.816503748e+01 1.218638277e+02 0.94 nan 1.146605813e+02 nan 1.659641904e+02 1.659568431e+02 7.222628937e+01 nan nan 8.211532604e+01 1.131424918e+02 0.96 nan 1.070848858e+02 nan 1.554416912e+02 1.555609440e+02 6.744689434e+01 1.078954877e+02 nan 7.666263249e+01 1.053138812e+02 0.98 nan 1.000914738e+02 nan 1.457082725e+02 1.458970916e+02 6.305832232e+01 1.002523018e+02 nan 7.173096748e+01 9.831290371e+01 1.00 nan 9.358676234e+01 nan 1.366782432e+02 1.368822810e+02 5.900963458e+01 9.335138187e+01 nan 6.724929987e+01 9.196785545e+01 1.02 nan 8.749143562e+01 nan 1.282980513e+02 1.284923162e+02 5.520436433e+01 8.712403502e+01 nan 6.312863228e+01 8.617136196e+01 1.04 nan 8.181622165e+01 nan 1.205381147e+02 1.206795110e+02 5.155228016e+01 8.149123646e+01 1.131152927e+02 5.930130638e+01 8.092927368e+01 1.06 1.133387962e+02 7.652442485e+01 1.031125248e+02 1.132889366e+02 1.133316799e+02 4.801419964e+01 7.641681292e+01 1.063001790e+02 5.573708656e+01 7.614939423e+01 1.08 1.066343899e+02 7.154075624e+01 9.652051398e+01 1.065335894e+02 1.064938815e+02 4.468733720e+01 7.186929993e+01 9.986028640e+01 5.242265600e+01 7.170384772e+01 1.10 1.003104290e+02 6.686232726e+01 9.046737305e+01 1.002380862e+02 1.001574198e+02 4.158276851e+01 6.772827849e+01 9.377396933e+01 4.931692330e+01 6.755698089e+01 1.12 9.433708083e+01 6.251918948e+01 8.486852605e+01 9.431844710e+01 9.423257903e+01 3.866357167e+01 6.388671745e+01 8.801766710e+01 4.637126589e+01 6.371512752e+01 1.14 8.867264539e+01 5.852439135e+01 7.966631179e+01 8.869021432e+01 8.862532702e+01 3.591509961e+01 6.031215575e+01 8.258045398e+01 4.356164307e+01 6.017273256e+01 1.16 8.327343326e+01 5.489353764e+01 7.483396066e+01 8.330631700e+01 8.327269946e+01 3.333225188e+01 5.701776674e+01 7.746626377e+01 4.090300120e+01 5.688844439e+01 1.18 7.816240597e+01 5.159897883e+01 7.038153946e+01 7.819700790e+01 7.819220356e+01 3.091111113e+01 5.399367061e+01 7.276733401e+01 3.838837957e+01 5.379548726e+01 1.20 7.351206411e+01 4.861619068e+01 6.628474789e+01 7.351141061e+01 7.351620581e+01 2.863267133e+01 5.119298137e+01 6.849629121e+01 3.599966738e+01 5.088839762e+01 1.22 6.928148004e+01 4.590228586e+01 6.247813310e+01 6.923372282e+01 6.924015844e+01 2.645844306e+01 4.855533852e+01 6.459104379e+01 3.371334234e+01 4.813123129e+01 1.24 6.540600406e+01 4.341793357e+01 5.891088894e+01 6.532327195e+01 6.532338675e+01 2.434850992e+01 4.603914808e+01 6.099236615e+01 3.151108968e+01 4.551909643e+01 1.26 6.181581589e+01 4.113685496e+01 5.563986956e+01 6.173124396e+01 6.171866408e+01 2.235896244e+01 4.365334062e+01 5.765854125e+01 2.942054008e+01 4.304500360e+01 1.28 5.847554397e+01 3.904458900e+01 5.268173403e+01 5.841452799e+01 5.838763700e+01 2.054086490e+01 4.139094573e+01 5.456903371e+01 2.747081174e+01 4.069571920e+01 1.30 5.536935097e+01 3.711988455e+01 4.996819275e+01 5.533844161e+01 5.530052658e+01 1.888756471e+01 3.922662303e+01 5.170695825e+01 2.565274378e+01 3.844781395e+01 1.32 5.249111074e+01 3.533269297e+01 4.743545103e+01 5.248587467e+01 5.244491285e+01 1.738148159e+01 3.713075208e+01 4.905683394e+01 2.394805987e+01 3.628196367e+01 1.34 4.983523565e+01 3.366239297e+01 4.506475490e+01 4.984510877e+01 4.980782624e+01 1.600132122e+01 3.508306782e+01 4.660169930e+01 2.233696419e+01 3.419314583e+01 1.36 4.738744176e+01 3.208295863e+01 4.286886468e+01 4.740079317e+01 4.737030569e+01 1.473668781e+01 3.308007703e+01 4.432747502e+01 2.080494036e+01 3.219291806e+01 1.38 4.511417557e+01 3.057352221e+01 4.085561142e+01 4.512594174e+01 4.510307548e+01 1.358622406e+01 3.113317805e+01 4.221613627e+01 1.937495040e+01 3.029001364e+01 1.40 4.297407633e+01 2.912877007e+01 3.900864646e+01 4.298938002e+01 4.297718994e+01 1.255030426e+01 2.928536263e+01 4.023514332e+01 1.804607958e+01 2.848054837e+01 1.42 4.094830721e+01 2.775695993e+01 3.729607479e+01 4.096568774e+01 4.096529297e+01 1.162446990e+01 2.756983580e+01 3.835939102e+01 1.680752153e+01 2.674757564e+01 1.44 3.903933060e+01 2.645412356e+01 3.568854141e+01 3.904514092e+01 3.905451291e+01 1.079888715e+01 2.597493851e+01 3.657408069e+01 1.564685566e+01 2.508239856e+01 1.46 3.726165106e+01 2.519915123e+01 3.416541596e+01 3.724298993e+01 3.725834488e+01 1.005824909e+01 2.448492747e+01 3.488329926e+01 1.455430190e+01 2.352500202e+01 1.48 3.558659421e+01 2.396651290e+01 3.271318135e+01 3.554761571e+01 3.556727238e+01 9.387092157e+00 2.308999427e+01 3.327384272e+01 1.352617713e+01 2.207081686e+01 1.50 3.398252083e+01 2.275044691e+01 3.132249972e+01 3.394653886e+01 3.397131357e+01 8.775325696e+00 2.178269852e+01 3.173761343e+01 1.255902144e+01 2.071164715e+01 1.52 3.243348309e+01 2.156363871e+01 2.998648809e+01 3.242813955e+01 3.246064974e+01 8.219579047e+00 2.055260638e+01 3.027447644e+01 1.164545004e+01 1.944161415e+01 1.54 3.095055742e+01 2.042049372e+01 2.869197832e+01 3.098802475e+01 3.102956629e+01 7.714549068e+00 1.938360296e+01 2.889225344e+01 1.077781375e+01 1.825527487e+01 1.56 2.954631320e+01 1.932304090e+01 2.742162344e+01 2.961893115e+01 2.966729168e+01 7.251563601e+00 1.826074988e+01 2.759130594e+01 9.950121090e+00 1.714607101e+01 1.58 2.822697712e+01 1.825899566e+01 2.616395246e+01 2.831582737e+01 2.836564390e+01 6.820824069e+00 1.717500006e+01 2.636878790e+01 9.159872079e+00 1.610605457e+01 1.60 2.699027830e+01 1.721134853e+01 2.491966879e+01 2.707469406e+01 2.711822359e+01 6.413882228e+00 1.612642737e+01 2.521370833e+01 8.406293609e+00 1.512625141e+01 1.62 2.583148461e+01 1.616501022e+01 2.370178966e+01 2.589643469e+01 2.592687174e+01 6.028490865e+00 1.511845430e+01 2.411632358e+01 7.689860039e+00 1.419837990e+01 1.64 2.474189898e+01 1.511422894e+01 2.252350257e+01 2.477930323e+01 2.479322683e+01 5.664719753e+00 1.416712487e+01 2.306546737e+01 7.008208180e+00 1.331572150e+01 1.66 2.370522386e+01 1.406373788e+01 2.138990916e+01 2.371571271e+01 2.371479876e+01 5.321634087e+00 1.327540191e+01 2.205065147e+01 6.361934260e+00 1.247431604e+01 1.68 2.270683432e+01 1.304267975e+01 2.030085960e+01 2.269461184e+01 2.268317647e+01 4.998639273e+00 1.243310871e+01 2.106411483e+01 5.753731463e+00 1.167158796e+01 1.70 2.173446703e+01 1.205705894e+01 1.925436358e+01 2.170361225e+01 2.168511835e+01 4.696980703e+00 1.162950452e+01 2.009808422e+01 5.178539224e+00 1.090476673e+01 1.72 2.077687772e+01 1.110462296e+01 1.824649434e+01 2.073277701e+01 2.070923483e+01 4.416439825e+00 1.085500869e+01 1.914909267e+01 4.636060828e+00 1.016866791e+01 1.74 1.983421386e+01 1.018155079e+01 1.726877672e+01 1.977965664e+01 1.975051110e+01 4.153921876e+00 1.010274159e+01 1.821821565e+01 4.128749939e+00 9.462413341e+00 1.76 1.890766172e+01 9.282410789e+00 1.630970009e+01 1.884555612e+01 1.880953532e+01 3.901899486e+00 9.367048416e+00 1.730428302e+01 3.658738911e+00 8.785185081e+00 1.78 1.799750518e+01 8.404824136e+00 1.537953631e+01 1.793222059e+01 1.789008173e+01 3.654030048e+00 8.646880827e+00 1.640613568e+01 3.225885279e+00 8.133857893e+00 1.80 1.710241037e+01 7.548712557e+00 1.447305656e+01 1.704050896e+01 1.699547033e+01 3.405880768e+00 7.942289520e+00 1.551988438e+01 2.827403108e+00 7.504318854e+00 1.82 1.621840150e+01 6.720938559e+00 1.358724950e+01 1.616853515e+01 1.612579842e+01 3.156108380e+00 7.253513860e+00 1.464273156e+01 2.457814134e+00 6.893585898e+00 1.84 1.534625645e+01 5.944688931e+00 1.272727338e+01 1.531354282e+01 1.527737362e+01 2.907862406e+00 6.580966703e+00 1.377574975e+01 2.112757233e+00 6.303985240e+00 1.86 1.448618364e+01 5.221195936e+00 1.189503757e+01 1.447171923e+01 1.444484022e+01 2.662183930e+00 5.924186692e+00 1.291872922e+01 1.788431273e+00 5.737427008e+00 1.88 1.363797249e+01 4.548663760e+00 1.108933610e+01 1.363933870e+01 1.362305140e+01 2.418165458e+00 5.284444592e+00 1.207252475e+01 1.482126501e+00 5.196369103e+00 1.90 1.280146111e+01 3.923189752e+00 1.030470124e+01 1.281506068e+01 1.280941346e+01 2.172581821e+00 4.662828596e+00 1.123732171e+01 1.193441688e+00 4.680552002e+00 1.92 1.197628214e+01 3.338878031e+00 9.531432448e+00 1.199891584e+01 1.200306091e+01 1.920396650e+00 4.062911649e+00 1.041057031e+01 9.218951352e-01 4.187613624e+00 1.94 1.116240834e+01 2.790715550e+00 8.765020444e+00 1.119077935e+01 1.120323632e+01 1.660632964e+00 3.492259441e+00 9.588944243e+00 6.667135625e-01 3.716186091e+00 1.96 1.035939763e+01 2.273047032e+00 8.005271523e+00 1.039000223e+01 1.040909552e+01 1.394272355e+00 2.951592414e+00 8.767725542e+00 4.261234138e-01 3.263767770e+00 1.98 9.563787173e+00 1.780276349e+00 7.252909558e+00 9.593145739e+00 9.617485340e+00 1.122776718e+00 2.440114929e+00 7.955784923e+00 1.958675108e-01 2.827288131e+00 2.00 8.768742941e+00 1.309614521e+00 6.510428585e+00 8.794803531e+00 8.823637239e+00 8.483821883e-01 1.956235325e+00 7.166660877e+00 -2.853138309e-02 2.403810768e+00 2.02 7.966611357e+00 8.592856869e-01 5.778599091e+00 7.989677473e+00 8.022794465e+00 5.716496881e-01 1.498141283e+00 6.397630608e+00 -2.505836345e-01 1.989208462e+00 2.04 7.170361453e+00 4.324696149e-01 5.069909720e+00 7.193208409e+00 7.230485580e+00 3.002189909e-01 1.070966654e+00 5.655590603e+00 -4.682173371e-01 1.590465451e+00 2.06 6.402556610e+00 3.370932750e-02 4.399826540e+00 6.428757105e+00 6.469460246e+00 4.400485896e-02 6.812435819e-01 4.951686199e+00 -6.757773634e-01 1.219815540e+00 2.08 5.667270777e+00 -3.356765415e-01 3.765187233e+00 5.698317745e+00 5.740317452e+00 -1.965291704e-01 3.255344281e-01 4.288378288e+00 -8.727295339e-01 8.769880759e-01 2.10 4.969486219e+00 -6.754113472e-01 3.161327537e+00 5.003955548e+00 5.043912077e+00 -4.218386000e-01 -2.838673768e-05 3.666394890e+00 -1.058301591e+00 5.619307151e-01 2.12 4.313928816e+00 -9.868358351e-01 2.586660140e+00 4.348346596e+00 4.382942634e+00 -6.326443787e-01 -2.985615983e-01 3.084374180e+00 -1.231298752e+00 2.748664997e-01 2.14 3.702853964e+00 -1.271700898e+00 2.041112499e+00 3.732891586e+00 3.759620407e+00 -8.307214604e-01 -5.726464960e-01 2.539396173e+00 -1.391461678e+00 1.361946556e-02 2.16 3.133067161e+00 -1.531543310e+00 1.524738196e+00 3.155404980e+00 3.173204071e+00 -1.018057202e+00 -8.237925726e-01 2.027717814e+00 -1.539054357e+00 -2.262659220e-01 2.18 2.599594665e+00 -1.767818801e+00 1.040587667e+00 2.613211594e+00 2.622713747e+00 -1.194297445e+00 -1.052369049e+00 1.546051946e+00 -1.674755549e+00 -4.496810507e-01 2.20 2.097241388e+00 -1.981645847e+00 5.913574715e-01 2.102960112e+00 2.105831824e+00 -1.358670157e+00 -1.258443715e+00 1.092152818e+00 -1.799677658e+00 -6.617004458e-01 2.22 1.621220822e+00 -2.174227656e+00 1.783789193e-01 1.620907661e+00 1.619122442e+00 -1.510213019e+00 -1.442563495e+00 6.648847054e-01 -1.915165503e+00 -8.664565204e-01 2.24 1.169610710e+00 -2.346867553e+00 -1.973094111e-01 1.165503668e+00 1.160934936e+00 -1.647956578e+00 -1.605726550e+00 2.642083558e-01 -2.022334874e+00 -1.063881730e+00 2.26 7.427156453e-01 -2.500404939e+00 -5.371302393e-01 7.364709526e-01 7.302901045e-01 -1.772076219e+00 -1.749793713e+00 -1.095986251e-01 -2.121990092e+00 -1.252004718e+00 2.28 3.415277102e-01 -2.635565674e+00 -8.448510884e-01 3.336233073e-01 3.259612540e-01 -1.883343400e+00 -1.877161196e+00 -4.565461772e-01 -2.214061651e+00 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