# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2022--Sivaraman-G-Csanyi-G-Vazquez-Mayagoitia-A-et-al--Hf-O # implementation = 2022--Sivaraman-G--Hf-O--LAMMPS--ipr1 # composition = 7283 # 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 2024-11-27 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 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 1.451069891e+02 nan nan 0.92 1.332989489e+02 nan nan 0.94 1.219601736e+02 nan nan 0.96 1.110773656e+02 nan nan 0.98 1.005643156e+02 1.446379520e+02 nan 1.00 9.060791271e+01 1.335574931e+02 nan 1.02 8.140105513e+01 1.232472289e+02 1.343805202e+02 1.04 7.291833916e+01 1.134501410e+02 1.229768122e+02 1.06 6.497603220e+01 1.041093715e+02 1.123282130e+02 1.08 5.782468498e+01 9.517391295e+01 1.025007619e+02 1.10 5.145195393e+01 8.671274683e+01 9.348830727e+01 1.12 4.574538123e+01 7.876170209e+01 8.539968709e+01 1.14 4.056837555e+01 7.148446020e+01 7.832022191e+01 1.16 3.566811606e+01 6.483955390e+01 7.215853979e+01 1.18 3.093321679e+01 5.860774214e+01 6.652951260e+01 1.20 2.645541186e+01 5.276199101e+01 6.119381585e+01 1.22 2.227936719e+01 4.736870077e+01 5.606951878e+01 1.24 1.826165972e+01 4.219642545e+01 5.109661294e+01 1.26 1.446520840e+01 3.717434238e+01 4.631362207e+01 1.28 1.089920967e+01 3.231312604e+01 4.165611073e+01 1.30 7.452519494e+00 2.771818319e+01 3.705624287e+01 1.32 4.153755272e+00 2.347125445e+01 3.243901799e+01 1.34 1.107869217e+00 1.952669972e+01 2.789765947e+01 1.36 -1.588821596e+00 1.591788149e+01 2.361329684e+01 1.38 -3.960010997e+00 1.266370660e+01 1.972994397e+01 1.40 -6.084389877e+00 9.604478882e+00 1.628001374e+01 1.42 -7.969807402e+00 6.778101706e+00 1.310381818e+01 1.44 -9.645887752e+00 4.161738026e+00 1.021059250e+01 1.46 -1.112932696e+01 1.759777433e+00 7.556373685e+00 1.48 -1.246163584e+01 -5.078622958e-01 5.023892272e+00 1.50 -1.367728275e+01 -2.724658452e+00 2.652251365e+00 1.52 -1.474904337e+01 -4.859382299e+00 4.675057852e-01 1.54 -1.573787416e+01 -6.885425312e+00 -1.518177351e+00 1.56 -1.663527264e+01 -8.841742745e+00 -3.289923424e+00 1.58 -1.742046141e+01 -1.068766993e+01 -4.831476837e+00 1.60 -1.807170839e+01 -1.238340501e+01 -6.213951469e+00 1.62 -1.857238937e+01 -1.387688630e+01 -7.530199170e+00 1.64 -1.895277325e+01 -1.514171676e+01 -8.761189509e+00 1.66 -1.926736275e+01 -1.616253040e+01 -9.914621367e+00 1.68 -1.952419876e+01 -1.695765371e+01 -1.100530633e+01 1.70 -1.974942426e+01 -1.759387538e+01 -1.208628765e+01 1.72 -1.994545662e+01 -1.808852924e+01 -1.315167995e+01 1.74 -2.011116285e+01 -1.845330822e+01 -1.418606980e+01 1.76 -2.022478226e+01 -1.871022397e+01 -1.517094911e+01 1.78 -2.026320072e+01 -1.888768097e+01 -1.609322618e+01 1.80 -2.026762179e+01 -1.908198984e+01 -1.695564429e+01 1.82 -2.024326274e+01 -1.929300762e+01 -1.772706720e+01 1.84 -2.019911263e+01 -1.950894942e+01 -1.838685367e+01 1.86 -2.016483595e+01 -1.971846828e+01 -1.891450570e+01 1.88 -2.014281525e+01 -1.991077712e+01 -1.929461544e+01 1.90 -2.013245346e+01 -2.007519066e+01 -1.953743047e+01 1.92 -2.013376101e+01 -2.020161237e+01 -1.971425248e+01 1.94 -2.014388864e+01 -2.028406669e+01 -1.984459055e+01 1.96 -2.015825763e+01 -2.034176553e+01 -1.993731819e+01 1.98 -2.017220072e+01 -2.038393913e+01 -1.999949946e+01 2.00 -2.018231059e+01 -2.041758448e+01 -2.003589858e+01 2.02 -2.019089854e+01 -2.045642121e+01 -2.006075943e+01 2.04 -2.020075079e+01 -2.049409036e+01 -2.008266354e+01 2.06 -2.021056499e+01 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-2.021608482e+01 -2.014970991e+01 -2.046907095e+01 2.44 -2.021825599e+01 -2.010717720e+01 -2.039704999e+01 2.46 -2.022522499e+01 -2.005967585e+01 -2.031360602e+01 2.48 -2.023652583e+01 -2.002012609e+01 -2.022277535e+01 2.50 -2.025191327e+01 -1.999338892e+01 -2.012845704e+01 2.52 -2.027582629e+01 -1.998206393e+01 -2.003823424e+01 2.54 -2.031301735e+01 -1.998629170e+01 -1.995716551e+01 2.56 -2.036220333e+01 -2.000387921e+01 -1.988390125e+01 2.58 -2.042015704e+01 -2.003154417e+01 -1.981660795e+01 2.60 -2.048196221e+01 -2.006580382e+01 -1.975418570e+01 2.62 -2.054161837e+01 -2.010472616e+01 -1.969739097e+01 2.64 -2.059284923e+01 -2.015238421e+01 -1.964909095e+01 2.66 -2.062999023e+01 -2.021055783e+01 -1.961330418e+01 2.68 -2.064965731e+01 -2.028018385e+01 -1.959351297e+01 2.70 -2.065797068e+01 -2.036188691e+01 -1.959121629e+01 2.72 -2.065566716e+01 -2.045554622e+01 -1.960539874e+01 2.74 -2.064175481e+01 -2.055993552e+01 -1.963289577e+01 2.76 -2.061584101e+01 -2.067257197e+01 -1.966918878e+01 2.78 -2.057799275e+01 -2.078983907e+01 -1.970918335e+01 2.80 -2.052623059e+01 -2.090734724e+01 -1.974777995e+01 2.82 -2.045981754e+01 -2.102041440e+01 -1.978026337e+01 2.84 -2.037889555e+01 -2.112452664e+01 -1.980355391e+01 2.86 -2.028373844e+01 -2.121567422e+01 -1.981892133e+01 2.88 -2.017470683e+01 -2.129052259e+01 -1.982532956e+01 2.90 -2.005433765e+01 -2.134643494e+01 -1.982494630e+01 2.92 -1.993023254e+01 -2.138139323e+01 -1.982539569e+01 2.94 -1.980373405e+01 -2.139386953e+01 -1.982714201e+01 2.96 -1.967563383e+01 -2.138268996e+01 -1.983007094e+01 2.98 -1.954667615e+01 -2.134692142e+01 -1.983407665e+01 3.00 -1.941751871e+01 -2.128580320e+01 -1.983905188e+01 3.02 -1.928870220e+01 -2.119874008e+01 -1.984486569e+01 3.04 -1.916063423e+01 -2.108536823e+01 -1.985132971e+01 3.06 -1.903359120e+01 -2.094569636e+01 -1.985815720e+01 3.08 -1.890773847e+01 -2.078873188e+01 -1.986492262e+01 3.10 -1.878316559e+01 -2.062720796e+01 -1.987103074e+01 3.12 -1.865992920e+01 -2.046190493e+01 -1.987570338e+01 3.14 -1.853809460e+01 -2.029360467e+01 -1.987798831e+01 3.16 -1.841776610e+01 -2.012317292e+01 -1.987679034e+01 3.18 -1.829909914e+01 -1.995154786e+01 -1.987091992e+01 3.20 -1.818229104e+01 -1.977972391e+01 -1.985915160e+01 3.22 -1.806755254e+01 -1.960873077e+01 -1.984028396e+01 3.24 -1.795506709e+01 -1.943960783e+01 -1.981319347e+01 3.26 -1.784494729e+01 -1.927337490e+01 -1.977687795e+01 3.28 -1.773711435e+01 -1.911100046e+01 -1.973048755e+01 3.30 -1.763107196e+01 -1.895336948e+01 -1.967334448e+01 3.32 -1.752644375e+01 -1.880125271e+01 -1.960495369e+01 3.34 -1.742296393e+01 -1.865527989e+01 -1.952500765e+01 3.36 -1.732043844e+01 -1.851591881e+01 -1.943338791e+01 3.38 -1.721873606e+01 -1.838346184e+01 -1.933016539e+01 3.40 -1.711779738e+01 -1.825802087e+01 -1.921560034e+01 3.42 -1.701765512e+01 -1.813953069e+01 -1.909014274e+01 3.44 -1.691845698e+01 -1.802776031e+01 -1.895443333e+01 3.46 -1.682048203e+01 -1.792233071e+01 -1.880930582e+01 3.48 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