# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2005--Erhart-P-Albe-K--Si-C-II # implementation = 2005--Erhart-P--Si-C-II--LAMMPS--ipr1 # composition = CSi3 # 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 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 2.728767525e+03 nan nan 0.68 2.456965712e+03 nan nan 0.70 2.215531710e+03 nan nan 0.72 1.998749477e+03 2.726808154e+03 nan 0.74 1.806357059e+03 2.476303018e+03 2.742734360e+03 0.76 1.636931790e+03 2.253870851e+03 2.499029769e+03 0.78 1.486146074e+03 2.052735357e+03 2.279775953e+03 0.80 1.350119503e+03 1.872281368e+03 2.080209974e+03 0.82 1.228503902e+03 1.709006636e+03 1.897764735e+03 0.84 1.119499739e+03 1.559724277e+03 1.734852152e+03 0.86 1.020494484e+03 1.425173086e+03 1.589441372e+03 0.88 9.311944192e+02 1.305515739e+03 1.458103096e+03 0.90 8.512957009e+02 1.198918138e+03 1.337315504e+03 0.92 7.775495044e+02 1.101739126e+03 1.226999513e+03 0.94 7.090525120e+02 1.011923185e+03 1.126024716e+03 0.96 6.470766026e+02 9.285154369e+02 1.034425600e+03 0.98 5.922009731e+02 8.521594218e+02 9.530703371e+02 1.00 5.425559971e+02 7.823064568e+02 8.798205521e+02 1.02 4.963262834e+02 7.198266031e+02 8.132302337e+02 1.04 4.525108553e+02 6.637301963e+02 7.520616876e+02 1.06 4.118599081e+02 6.132795271e+02 6.942484151e+02 1.08 3.754615942e+02 5.680811947e+02 6.393203268e+02 1.10 3.434513935e+02 5.260033460e+02 5.880167234e+02 1.12 3.157769172e+02 4.855777449e+02 5.412217651e+02 1.14 2.913755311e+02 4.472837157e+02 4.997028215e+02 1.16 2.690416671e+02 4.117964686e+02 4.635188378e+02 1.18 2.483430132e+02 3.793307131e+02 4.306791011e+02 1.20 2.288312884e+02 3.497794416e+02 4.002403913e+02 1.22 2.105617720e+02 3.224150185e+02 3.722510295e+02 1.24 1.935231325e+02 2.965413363e+02 3.465397027e+02 1.26 1.773100407e+02 2.721232066e+02 3.221917985e+02 1.28 1.620176253e+02 2.493681971e+02 2.989227270e+02 1.30 1.478965320e+02 2.286299934e+02 2.766471881e+02 1.32 1.349256492e+02 2.103317734e+02 2.556218410e+02 1.34 1.230195583e+02 1.943082051e+02 2.360792000e+02 1.36 1.122989653e+02 1.803401229e+02 2.182003290e+02 1.38 1.026878107e+02 1.677397656e+02 2.017830362e+02 1.40 9.375544678e+01 1.558126347e+02 1.859152273e+02 1.42 8.552172823e+01 1.444945339e+02 1.705360824e+02 1.44 7.810729525e+01 1.338179819e+02 1.558313001e+02 1.46 7.143719870e+01 1.233829595e+02 1.420665604e+02 1.48 6.524617978e+01 1.131609473e+02 1.296431530e+02 1.50 5.913564488e+01 1.033964481e+02 1.190840602e+02 1.52 5.319424724e+01 9.432859215e+01 1.103722920e+02 1.54 4.752195488e+01 8.610527593e+01 1.027627420e+02 1.56 4.210887687e+01 7.873916071e+01 9.567146740e+01 1.58 3.711495743e+01 7.236816274e+01 8.904709450e+01 1.60 3.274120784e+01 6.699945249e+01 8.274541959e+01 1.62 2.919411199e+01 6.211917270e+01 7.635871137e+01 1.64 2.649341922e+01 5.756776648e+01 6.996721137e+01 1.66 2.408246795e+01 5.332355309e+01 6.370537821e+01 1.68 2.185081200e+01 4.936628577e+01 5.770819325e+01 1.70 1.978608737e+01 4.556816543e+01 5.211545504e+01 1.72 1.787675520e+01 4.173244792e+01 4.707761285e+01 1.74 1.611204750e+01 3.792474480e+01 4.274340532e+01 1.76 1.448191636e+01 3.421949497e+01 3.921151230e+01 1.78 1.297698654e+01 3.068912004e+01 3.621650821e+01 1.80 1.158851114e+01 2.740518385e+01 3.341945799e+01 1.82 1.030833016e+01 2.444074200e+01 3.080743423e+01 1.84 9.128831828e+00 2.186637426e+01 2.836887986e+01 1.86 8.042916429e+00 1.973257198e+01 2.609294504e+01 1.88 7.043962486e+00 1.798667388e+01 2.396944402e+01 1.90 6.125795194e+00 1.638371299e+01 2.198881460e+01 1.92 5.282656905e+00 1.488305081e+01 2.014208017e+01 1.94 4.509179554e+00 1.345649757e+01 1.842081398e+01 1.96 3.800358886e+00 1.210156967e+01 1.678496933e+01 1.98 3.145125077e+00 1.081625323e+01 1.516753675e+01 2.00 2.518134901e+00 9.597744856e+00 1.358458976e+01 2.02 1.921193810e+00 8.442541532e+00 1.205593757e+01 2.04 1.357616379e+00 7.346621789e+00 1.060093708e+01 2.06 8.294488597e-01 6.305752459e+00 9.237918578e+00 2.08 3.375983298e-01 5.315964629e+00 7.983911648e+00 2.10 -1.179381683e-01 4.374245519e+00 6.854092477e+00 2.12 -5.377439131e-01 3.479475849e+00 5.860359664e+00 2.14 -9.225604077e-01 2.633575687e+00 5.008901853e+00 2.16 -1.272800245e+00 1.842661853e+00 4.296419872e+00 2.18 -1.588058527e+00 1.117733812e+00 3.663694897e+00 2.20 -1.866747686e+00 4.740612649e-01 3.078716217e+00 2.22 -2.106070309e+00 -7.625286504e-02 2.523984594e+00 2.24 -2.302643085e+00 -5.223279957e-01 1.986834770e+00 2.26 -2.454946691e+00 -8.646374538e-01 1.470901745e+00 2.28 -2.559995340e+00 -1.165078039e+00 9.790869759e-01 2.30 -2.613198449e+00 -1.437975861e+00 5.135307547e-01 2.32 -2.616156517e+00 -1.684016833e+00 7.563274910e-02 2.34 -2.573110526e+00 -1.904281835e+00 -3.338748710e-01 2.36 -2.488269904e+00 -2.100143046e+00 -7.147977374e-01 2.38 -2.366444516e+00 -2.273135219e+00 -1.067291322e+00 2.40 -2.218779138e+00 -2.429332456e+00 -1.391618650e+00 2.42 -2.062204737e+00 -2.571822226e+00 -1.687869065e+00 2.44 -1.916992579e+00 -2.695774894e+00 -1.955673824e+00 2.46 -1.802689760e+00 -2.798262669e+00 -2.193987053e+00 2.48 -1.733576217e+00 -2.878924922e+00 -2.401045921e+00 2.50 -1.709429243e+00 -2.940253126e+00 -2.574671729e+00 2.52 -1.690903217e+00 -2.987212341e+00 -2.713083801e+00 2.54 -1.671073562e+00 -3.025740710e+00 -2.816263385e+00 2.56 -1.650080376e+00 -3.059817646e+00 -2.887430597e+00 2.58 -1.628054204e+00 -3.087827742e+00 -2.933340910e+00 2.60 -1.605116604e+00 -3.101120261e+00 -2.961854749e+00 2.62 -1.581380677e+00 -3.096100223e+00 -2.980247194e+00 2.64 -1.556951580e+00 -3.075183932e+00 -2.992153014e+00 2.66 -1.531926995e+00 -3.043764339e+00 -2.998084645e+00 2.68 -1.506397584e+00 -3.009810976e+00 -2.998522446e+00 2.70 -1.480447411e+00 -2.973617329e+00 -2.993916533e+00 2.72 -1.454154344e+00 -2.935427689e+00 -2.984688507e+00 2.74 -1.427590435e+00 -2.895469638e+00 -2.971233089e+00 2.76 -1.397649950e+00 -2.848944436e+00 -2.951426495e+00 2.78 -1.345925694e+00 -2.766186571e+00 -2.909083600e+00 2.80 -1.271052377e+00 -2.643071293e+00 -2.837457655e+00 2.82 -1.175489748e+00 -2.481062652e+00 -2.731566861e+00 2.84 -1.062335917e+00 -2.282554922e+00 -2.586730598e+00 2.86 -9.353552087e-01 -2.051250057e+00 -2.399497889e+00 2.88 -7.989754606e-01 -1.792509184e+00 -2.168613748e+00 2.90 -6.582326161e-01 -1.513646918e+00 -1.896031189e+00 2.92 -5.186423012e-01 -1.224132951e+00 -1.587965566e+00 2.94 -3.859834540e-01 -9.356482233e-01 -1.255925284e+00 2.96 -2.659898343e-01 -6.619031807e-01 -9.174929719e-01 2.98 -1.639624404e-01 -4.180590573e-01 -5.963403101e-01 3.00 -8.433829783e-02 -2.195310317e-01 -3.206171469e-01 3.02 -3.027390865e-02 -8.000484049e-02 -1.188279537e-01 3.04 -3.316391605e-03 -8.834705273e-03 -1.323737479e-02 3.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.38 0.000000000e+00 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