# 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 = Cl3Li # 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 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 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 1.385674660e+04 nan nan 1.12 1.096735966e+04 nan nan 1.14 8.721556929e+03 nan nan 1.16 6.967867877e+03 nan nan 1.18 5.592479375e+03 nan nan 1.20 4.509102258e+03 1.417737199e+04 nan 1.22 3.652134034e+03 1.143933112e+04 nan 1.24 2.971491285e+03 9.266762727e+03 1.244784219e+04 1.26 2.428584272e+03 7.536254721e+03 1.011644472e+04 1.28 1.993918276e+03 6.152559439e+03 8.252779663e+03 1.30 1.644477646e+03 5.042267433e+03 6.757637274e+03 1.32 1.362507960e+03 4.148099632e+03 5.553854883e+03 1.34 1.134103094e+03 3.425357206e+03 4.581288079e+03 1.36 9.483862774e+02 2.839256545e+03 3.792795058e+03 1.38 7.968070856e+02 2.362373189e+03 3.151479549e+03 1.40 6.725861543e+02 1.972999967e+03 2.628084768e+03 1.42 5.704605251e+02 1.654080032e+03 2.199616039e+03 1.44 4.861742087e+02 1.392035097e+03 1.847778829e+03 1.46 4.163322880e+02 1.176008897e+03 1.557911814e+03 1.48 3.582561731e+02 9.973275085e+02 1.318387784e+03 1.50 3.097734311e+02 8.491077917e+02 1.119879219e+03 1.52 2.691343395e+02 7.257856780e+02 9.548442303e+02 1.54 2.349349879e+02 6.228513584e+02 8.172163216e+02 1.56 2.060407473e+02 5.366731721e+02 7.021023039e+02 1.58 1.815286677e+02 4.642550244e+02 6.055414074e+02 1.60 1.606327092e+02 4.032296654e+02 5.242792178e+02 1.62 1.427578168e+02 3.516506675e+02 4.556773506e+02 1.64 1.274052738e+02 3.079139601e+02 3.976053883e+02 1.66 1.141580634e+02 2.707012732e+02 3.482885374e+02 1.68 1.026748270e+02 2.389245653e+02 3.062658601e+02 1.70 9.268314067e+01 2.116857841e+02 2.703398681e+02 1.72 8.396152451e+01 1.882705376e+02 2.395364470e+02 1.74 7.631793642e+01 1.680667292e+02 2.130478722e+02 1.76 6.959292282e+01 1.505725559e+02 1.901944837e+02 1.78 6.365267955e+01 1.353758767e+02 1.704120088e+02 1.80 5.837848420e+01 1.221304029e+02 1.532253559e+02 1.82 5.368683434e+01 1.105415584e+02 1.382405353e+02 1.84 4.949808599e+01 1.003699556e+02 1.251348657e+02 1.86 4.574531611e+01 9.141363972e+01 1.136398173e+02 1.88 4.237024595e+01 8.350325450e+01 1.035227165e+02 1.90 3.932295772e+01 7.649282851e+01 9.458702605e+01 1.92 3.655824010e+01 7.025779914e+01 8.666596637e+01 1.94 3.404285765e+01 6.469267405e+01 7.961385626e+01 1.96 3.174518557e+01 5.971226318e+01 7.332287031e+01 1.98 2.963940244e+01 5.524034348e+01 6.769416862e+01 2.00 2.770367723e+01 5.121067585e+01 6.263891886e+01 2.02 2.591845203e+01 4.756403332e+01 5.808616915e+01 2.04 2.426668404e+01 4.425470698e+01 5.397442927e+01 2.06 2.273388217e+01 4.124348472e+01 5.025044986e+01 2.08 2.130635167e+01 3.849778936e+01 4.686674108e+01 2.10 1.997416965e+01 3.598681101e+01 4.378029526e+01 2.12 1.872907116e+01 3.368403976e+01 4.095920657e+01 2.14 1.756194500e+01 3.156651863e+01 3.837370536e+01 2.16 1.646651412e+01 2.961400734e+01 3.599679315e+01 2.18 1.543905507e+01 2.780946801e+01 3.380520109e+01 2.20 1.447386873e+01 2.613617264e+01 3.177721440e+01 2.22 1.356698577e+01 2.458136975e+01 2.989606119e+01 2.24 1.271488714e+01 2.313423564e+01 2.814797162e+01 2.26 1.191476376e+01 2.178371325e+01 2.651948793e+01 2.28 1.116358559e+01 2.052039695e+01 2.499818134e+01 2.30 1.045824979e+01 1.933618148e+01 2.357555236e+01 2.32 9.796594340e+00 1.822314252e+01 2.224222766e+01 2.34 9.175035596e+00 1.717257301e+01 2.099015886e+01 2.36 8.592583212e+00 1.618254266e+01 1.981478617e+01 2.38 8.046956681e+00 1.524847807e+01 1.871038235e+01 2.40 7.535641026e+00 1.436651675e+01 1.767183178e+01 2.42 7.055028164e+00 1.353322800e+01 1.669442898e+01 2.44 6.604934995e+00 1.274539654e+01 1.577393656e+01 2.46 6.183131505e+00 1.200025180e+01 1.490648948e+01 2.48 5.787517749e+00 1.129538506e+01 1.408846541e+01 2.50 5.416075087e+00 1.062868431e+01 1.331380150e+01 2.52 5.066838764e+00 9.998301828e+00 1.258285818e+01 2.54 4.738685137e+00 9.402506819e+00 1.189300827e+01 2.56 4.430193436e+00 8.838443646e+00 1.124131036e+01 2.58 4.140000639e+00 8.306105321e+00 1.062513270e+01 2.60 3.866736225e+00 7.804396581e+00 1.004199123e+01 2.62 3.609876037e+00 7.331109316e+00 9.489045979e+00 2.64 3.368616990e+00 6.885236918e+00 8.964296675e+00 2.66 3.142254353e+00 6.466477447e+00 8.467067459e+00 2.68 2.930123531e+00 6.073511044e+00 7.995705997e+00 2.70 2.731609073e+00 5.704733190e+00 7.547994658e+00 2.72 2.546137312e+00 5.359118079e+00 7.123528342e+00 2.74 2.373158563e+00 5.035578290e+00 6.721053770e+00 2.76 2.212131021e+00 4.732805592e+00 6.339356839e+00 2.78 2.062503723e+00 4.449373737e+00 5.977326232e+00 2.80 1.923697920e+00 4.184401954e+00 5.633939401e+00 2.82 1.794434996e+00 3.936660994e+00 5.308251231e+00 2.84 1.674956655e+00 3.704931218e+00 4.999385198e+00 2.86 1.564600312e+00 3.487583327e+00 4.706541810e+00 2.88 1.462647775e+00 3.283896275e+00 4.428958870e+00 2.90 1.368373067e+00 3.092835201e+00 4.165918075e+00 2.92 1.281047984e+00 2.913279249e+00 3.916758562e+00 2.94 1.199859787e+00 2.744185594e+00 3.680688575e+00 2.96 1.123616105e+00 2.584569667e+00 3.456171552e+00 2.98 1.052398390e+00 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6.241178795e-02 5.974299048e-01 8.963792948e-01 3.38 1.910881220e-02 5.415773430e-01 8.270201999e-01 3.40 -2.299587283e-02 4.888110263e-01 7.602814192e-01 3.42 -6.383117916e-02 4.389020090e-01 6.958978722e-01 3.44 -1.033326981e-01 3.910019767e-01 6.336573881e-01 3.46 -1.414455898e-01 3.450494270e-01 5.733755697e-01 3.48 -1.781255725e-01 3.015075188e-01 5.149354225e-01 3.50 -2.133678928e-01 2.600953459e-01 4.582699452e-01 3.52 -2.477131009e-01 2.205552947e-01 4.033260322e-01 3.54 -2.810292902e-01 1.826428754e-01 3.500792215e-01 3.56 -3.125593914e-01 1.461393428e-01 2.985263076e-01 3.58 -3.423677968e-01 1.108528031e-01 2.486790415e-01 3.60 -3.705150326e-01 7.661869748e-02 2.005621195e-01 3.62 -3.970584656e-01 4.329966492e-02 1.542067344e-01 3.64 -4.220524670e-01 1.072244620e-02 1.096461963e-01 3.66 -4.455485512e-01 -2.113332399e-02 6.691212030e-02 3.68 -4.675954925e-01 -5.232282244e-02 2.603122930e-02 3.70 -4.882394227e-01 -8.288823017e-02 -1.297720983e-02 3.72 -5.075239104e-01 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