# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Ko-W-S-Lee-B-J--V-Pd-Y # implementation = 2013--Ko-W-S--V-Pd-Y--LAMMPS--ipr1 # composition = VY3 # 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 1.876343009e+02 nan nan 1.06 1.788643453e+02 nan nan 1.08 1.704658757e+02 nan nan 1.10 1.624239166e+02 nan nan 1.12 1.547240772e+02 1.820445054e+02 nan 1.14 1.473525293e+02 1.739871080e+02 nan 1.16 1.402959861e+02 1.662544727e+02 1.902854604e+02 1.18 1.335416810e+02 1.588340858e+02 1.824783181e+02 1.20 1.270773482e+02 1.517139032e+02 1.749611410e+02 1.22 1.208912033e+02 1.448823329e+02 1.677236641e+02 1.24 1.149719250e+02 1.383282182e+02 1.607559773e+02 1.26 1.093086376e+02 1.320408214e+02 1.540485126e+02 1.28 1.038908935e+02 1.260098091e+02 1.475920328e+02 1.30 9.870865696e+01 1.202252363e+02 1.413776205e+02 1.32 9.375228858e+01 1.146775330e+02 1.353966666e+02 1.34 8.901252965e+01 1.093574896e+02 1.296408601e+02 1.36 8.448048776e+01 1.042562440e+02 1.241021782e+02 1.38 8.014762265e+01 9.936526853e+01 1.187728757e+02 1.40 7.600573264e+01 9.467635791e+01 1.136454763e+02 1.42 7.204694156e+01 9.018161698e+01 1.087127630e+02 1.44 6.826368622e+01 8.587344942e+01 1.039677693e+02 1.46 6.464870431e+01 8.174454667e+01 9.940377072e+01 1.48 6.119502272e+01 7.778787723e+01 9.501427630e+01 1.50 5.789594640e+01 7.399667645e+01 9.079302089e+01 1.52 5.474504754e+01 7.036443663e+01 8.673395729e+01 1.54 5.173615523e+01 6.688489746e+01 8.283124874e+01 1.56 4.886334545e+01 6.355203691e+01 7.907926180e+01 1.58 4.612093150e+01 6.036006232e+01 7.547255933e+01 1.60 4.350345473e+01 5.730340192e+01 7.200589377e+01 1.62 4.100567567e+01 5.437669663e+01 6.867420067e+01 1.64 3.862256550e+01 5.157479210e+01 6.547259234e+01 1.66 3.634929776e+01 4.889273114e+01 6.239635188e+01 1.68 3.418124052e+01 4.632574635e+01 5.944092723e+01 1.70 3.211394867e+01 4.386925307e+01 5.660192557e+01 1.72 3.014315670e+01 4.151884252e+01 5.387510781e+01 1.74 2.826477158e+01 3.927027525e+01 5.125638334e+01 1.76 2.647486601e+01 3.711947485e+01 4.874180490e+01 1.78 2.476967191e+01 3.506252179e+01 4.632756368e+01 1.80 2.314557415e+01 3.309564755e+01 4.400998455e+01 1.82 2.159910452e+01 3.121522903e+01 4.178552142e+01 1.84 2.012693593e+01 2.941778298e+01 3.965075286e+01 1.86 1.872587686e+01 2.769996084e+01 3.760237779e+01 1.88 1.739286597e+01 2.605854364e+01 3.563721131e+01 1.90 1.612496697e+01 2.449043710e+01 3.375218073e+01 1.92 1.491936366e+01 2.299266696e+01 3.194432166e+01 1.94 1.377335518e+01 2.156237445e+01 3.021077435e+01 1.96 1.268435140e+01 2.019681191e+01 2.854878000e+01 1.98 1.164986855e+01 1.889333860e+01 2.695567734e+01 2.00 1.066752499e+01 1.764941665e+01 2.542889922e+01 2.02 9.735037096e+00 1.646260715e+01 2.396596940e+01 2.04 8.850215426e+00 1.533056643e+01 2.256449938e+01 2.06 8.010960905e+00 1.425104239e+01 2.122218537e+01 2.08 7.215261237e+00 1.322187108e+01 1.993680540e+01 2.10 6.461187431e+00 1.224097328e+01 1.870621644e+01 2.12 5.746890469e+00 1.130635133e+01 1.752835170e+01 2.14 5.070598098e+00 1.041608597e+01 1.640121799e+01 2.16 4.430611753e+00 9.568333403e+00 1.532289317e+01 2.18 3.825303596e+00 8.761322340e+00 1.429152367e+01 2.20 3.253113679e+00 7.993351289e+00 1.330532215e+01 2.22 2.712547204e+00 7.262785850e+00 1.236256518e+01 2.24 2.202171904e+00 6.568056154e+00 1.146159103e+01 2.26 1.720615525e+00 5.907654384e+00 1.060079753e+01 2.28 1.266563396e+00 5.280132394e+00 9.778640006e+00 2.30 8.387561101e-01 4.684099418e+00 8.993629270e+00 2.32 4.359872864e-01 4.118219859e+00 8.244329707e+00 2.34 5.710142258e-02 3.581211170e+00 7.529357408e+00 2.36 -2.990081632e-01 3.071841809e+00 6.847378370e+00 2.38 -6.334013164e-01 2.588929270e+00 6.197106758e+00 2.40 -9.470929455e-01 2.131338196e+00 5.577303232e+00 2.42 -1.241054848e+00 1.697978557e+00 4.986773322e+00 2.44 -1.516217467e+00 1.287803898e+00 4.424365869e+00 2.46 -1.773471573e+00 8.998096538e-01 3.888971508e+00 2.48 -2.013669881e+00 5.330315316e-01 3.379521214e+00 2.50 -2.237628607e+00 1.865439486e-01 2.894984890e+00 2.52 -2.446128954e+00 -1.405414655e-01 2.434370010e+00 2.54 -2.639918550e+00 -4.490773123e-01 1.996720299e+00 2.56 -2.819712815e+00 -7.398818111e-01 1.581114469e+00 2.58 -2.986196288e+00 -1.013740135e+00 1.186664990e+00 2.60 -3.140023889e+00 -1.271405692e+00 8.125169093e-01 2.62 -3.281822138e+00 -1.513601362e+00 4.578467082e-01 2.64 -3.412190322e+00 -1.741020685e+00 1.218611960e-01 2.66 -3.531701615e+00 -1.954328999e+00 -1.962035535e-01 2.68 -3.640904155e+00 -2.154164542e+00 -4.970832321e-01 2.70 -3.740322077e+00 -2.341139507e+00 -7.814862905e-01 2.72 -3.830456500e+00 -2.515841059e+00 -1.050094899e+00 2.74 -3.911786487e+00 -2.678832309e+00 -1.303565872e+00 2.76 -3.984769950e+00 -2.830653258e+00 -1.542531567e+00 2.78 -4.049844529e+00 -2.971821697e+00 -1.767600744e+00 2.80 -4.107428437e+00 -3.102834078e+00 -1.979359402e+00 2.82 -4.157921258e+00 -3.224166350e+00 -2.178371585e+00 2.84 -4.201704734e+00 -3.336274759e+00 -2.365180160e+00 2.86 -4.239143496e+00 -3.439596627e+00 -2.540307567e+00 2.88 -4.270585788e+00 -3.534551091e+00 -2.704256544e+00 2.90 -4.296364142e+00 -3.621539818e+00 -2.857510830e+00 2.92 -4.316796044e+00 -3.700947696e+00 -3.000535838e+00 2.94 -4.332184555e+00 -3.773143489e+00 -3.133779308e+00 2.96 -4.342818925e+00 -3.838480481e+00 -3.257671939e+00 2.98 -4.348975165e+00 -3.897297078e+00 -3.372627997e+00 3.00 -4.350916609e+00 -3.949917405e+00 -3.479045900e+00 3.02 -4.348894446e+00 -3.996651864e+00 -3.577308789e+00 3.04 -4.343148234e+00 -4.037797683e+00 -3.667785073e+00 3.06 -4.333906388e+00 -4.073639434e+00 -3.750828957e+00 3.08 -4.321386657e+00 -4.104449543e+00 -3.826780955e+00 3.10 -4.305796571e+00 -4.130488765e+00 -3.895968379e+00 3.12 -4.287333878e+00 -4.152006655e+00 -3.958705817e+00 3.14 -4.266186962e+00 -4.169242011e+00 -4.015295593e+00 3.16 -4.242535236e+00 -4.182423310e+00 -4.066028204e+00 3.18 -4.216549534e+00 -4.191769111e+00 -4.111182756e+00 3.20 -4.188392471e+00 -4.197488465e+00 -4.151027370e+00 3.22 -4.158218797e+00 -4.199781285e+00 -4.185819585e+00 3.24 -4.126175739e+00 -4.198838723e+00 -4.215806738e+00 3.26 -4.092403321e+00 -4.194843516e+00 -4.241226340e+00 3.28 -4.057035494e+00 -4.187970331e+00 -4.262306431e+00 3.30 -4.020352055e+00 -4.178386088e+00 -4.279265925e+00 3.32 -3.983064405e+00 -4.166250274e+00 -4.292314946e+00 3.34 -3.943931447e+00 -4.151715247e+00 -4.301655150e+00 3.36 -3.903367696e+00 -4.134926523e+00 -4.307480033e+00 3.38 -3.861779848e+00 -4.116023055e+00 -4.309975233e+00 3.40 -3.819265559e+00 -4.095137505e+00 -4.309318818e+00 3.42 -3.775917442e+00 -4.072396494e+00 -4.305681567e+00 3.44 -3.731823288e+00 -4.047920855e+00 -4.299227236e+00 3.46 -3.687066278e+00 -4.021825872e+00 -4.290112821e+00 3.48 -3.641725188e+00 -3.994221500e+00 -4.278488808e+00 3.50 -3.595874587e+00 -3.965212595e+00 -4.264499413e+00 3.52 -3.549585020e+00 -3.934899118e+00 -4.248282819e+00 3.54 -3.502923190e+00 -3.903376338e+00 -4.229971395e+00 3.56 -3.455952135e+00 -3.870735031e+00 -4.209691921e+00 3.58 -3.408731385e+00 -3.837061662e+00 -4.187565792e+00 3.60 -3.361317126e+00 -3.802438568e+00 -4.163709220e+00 3.62 -3.313762351e+00 -3.766944130e+00 -4.138233432e+00 3.64 -3.266117005e+00 -3.730652936e+00 -4.111244856e+00 3.66 -3.218428124e+00 -3.693635945e+00 -4.082845304e+00 3.68 -3.170739968e+00 -3.655960635e+00 -4.053132142e+00 3.70 -3.123094150e+00 -3.617691153e+00 -4.022198466e+00 3.72 -3.075529760e+00 -3.578888454e+00 -3.990133258e+00 3.74 -3.028083478e+00 -3.539610440e+00 -3.957021547e+00 3.76 -2.980789691e+00 -3.499912086e+00 -3.922944560e+00 3.78 -2.933680599e+00 -3.459845564e+00 -3.887979863e+00 3.80 -2.886786316e+00 -3.419460368e+00 -3.852201508e+00 3.82 -2.840134974e+00 -3.378803426e+00 -3.815680165e+00 3.84 -2.793752813e+00 -3.337919208e+00 -3.778483255e+00 3.86 -2.747664271e+00 -3.296849837e+00 -3.740675070e+00 3.88 -2.701892075e+00 -3.255635188e+00 -3.702316904e+00 3.90 -2.656457321e+00 -3.214312984e+00 -3.663467161e+00 3.92 -2.611379554e+00 -3.172918894e+00 -3.624181474e+00 3.94 -2.566676844e+00 -3.131486618e+00 -3.584512810e+00 3.96 -2.522365860e+00 -3.090047979e+00 -3.544511577e+00 3.98 -2.478461938e+00 -3.048633000e+00 -3.504225725e+00 4.00 -2.434979145e+00 -3.007269988e+00 -3.463700840e+00 4.02 -2.391930352e+00 -2.965985606e+00 -3.422980243e+00 4.04 -2.349327283e+00 -2.924804951e+00 -3.382105076e+00 4.06 -2.307180582e+00 -2.883751620e+00 -3.341114393e+00 4.08 -2.265499865e+00 -2.842847780e+00 -3.300045240e+00 4.10 -2.224293775e+00 -2.802114231e+00 -3.258932738e+00 4.12 -2.183570031e+00 -2.761570469e+00 -3.217810159e+00 4.14 -2.143335478e+00 -2.721234744e+00 -3.176709006e+00 4.16 -2.103596133e+00 -2.681124119e+00 -3.135659079e+00 4.18 -2.064357231e+00 -2.641254521e+00 -3.094693168e+00 4.20 -2.025623265e+00 -2.601640799e+00 -3.054485364e+00 4.22 -1.987398029e+00 -2.562296767e+00 -3.018147590e+00 4.24 -1.949684655e+00 -2.523235261e+00 -2.985197510e+00 4.26 -1.912485651e+00 -2.484468176e+00 -2.944921083e+00 4.28 -1.875802935e+00 -2.446006516e+00 -2.904588141e+00 4.30 -1.839637872e+00 -2.407860436e+00 -2.864470505e+00 4.32 -1.803991303e+00 -2.370039279e+00 -2.824586753e+00 4.34 -1.768863575e+00 -2.332551619e+00 -2.784954308e+00 4.36 -1.734254575e+00 -2.295405297e+00 -2.745589477e+00 4.38 -1.700163754e+00 -2.258607454e+00 -2.706507508e+00 4.40 -1.666590153e+00 -2.222164572e+00 -2.667722630e+00 4.42 -1.633532434e+00 -2.186082499e+00 -2.629248101e+00 4.44 -1.600988897e+00 -2.150366484e+00 -2.591096247e+00 4.46 -1.568957509e+00 -2.115021209e+00 -2.553278503e+00 4.48 -1.537435920e+00 -2.080050814e+00 -2.515805456e+00 4.50 -1.506421493e+00 -2.045458927e+00 -2.478686877e+00 4.52 -1.475911313e+00 -2.011248690e+00 -2.441931762e+00 4.54 -1.445902215e+00 -1.977422785e+00 -2.405548364e+00 4.56 -1.416390798e+00 -1.943983455e+00 -2.369544227e+00 4.58 -1.387373442e+00 -1.910932532e+00 -2.333926221e+00 4.60 -1.358846325e+00 -1.878271455e+00 -2.298700568e+00 4.62 -1.330805439e+00 -1.846001293e+00 -2.263872875e+00 4.64 -1.303246606e+00 -1.814122765e+00 -2.229448164e+00 4.66 -1.276165488e+00 -1.782636261e+00 -2.195430894e+00 4.68 -1.249557604e+00 -1.751541858e+00 -2.161824994e+00 4.70 -1.223418344e+00 -1.720839339e+00 -2.128633885e+00 4.72 -1.197742973e+00 -1.690528210e+00 -2.095860502e+00 4.74 -1.172526654e+00 -1.660607715e+00 -2.063507324e+00 4.76 -1.147764448e+00 -1.631076854e+00 -2.031576390e+00 4.78 -1.123451332e+00 -1.601934395e+00 -2.000069323e+00 4.80 -1.099582205e+00 -1.573178892e+00 -1.968987353e+00 4.82 -1.076151912e+00 -1.544808692e+00 -1.938331333e+00 4.84 -1.053306858e+00 -1.516821955e+00 -1.908101761e+00 4.86 -1.033897742e+00 -1.489216663e+00 -1.878298796e+00 4.88 -1.070782337e+00 -1.461990631e+00 -1.848922279e+00 4.90 -1.057596693e+00 -1.435141519e+00 -1.819971746e+00 4.92 -1.043248447e+00 -1.408666843e+00 -1.791446447e+00 4.94 -1.029121831e+00 -1.382563985e+00 -1.763345358e+00 4.96 -1.015214102e+00 -1.356830205e+00 -1.735667202e+00 4.98 -1.001522490e+00 -1.331462646e+00 -1.708410457e+00 5.00 -9.880442028e-01 -1.306458344e+00 -1.681573373e+00 5.02 -9.747764261e-01 -1.281814239e+00 -1.655153984e+00 5.04 -9.617163303e-01 -1.257527181e+00 -1.629150121e+00 5.06 -9.488610729e-01 -1.233593938e+00 -1.603559426e+00 5.08 -9.362078022e-01 -1.210011204e+00 -1.578379357e+00 5.10 -9.237536604e-01 -1.186775603e+00 -1.553607207e+00 5.12 -9.114957869e-01 -1.163962152e+00 -1.529240110e+00 5.14 -8.994313213e-01 -1.146885923e+00 -1.505275052e+00 5.16 -8.875574061e-01 -1.156913296e+00 -1.481708880e+00 5.18 -8.758711894e-01 -1.200462152e+00 -1.458538313e+00 5.20 -8.643698278e-01 -1.208849411e+00 -1.435759950e+00 5.22 -8.530504882e-01 -1.187139386e+00 -1.413370276e+00 5.24 -8.419103505e-01 -1.165699060e+00 -1.391365675e+00 5.26 -8.309466094e-01 -1.144526513e+00 -1.369742434e+00 5.28 -8.201571524e-01 -1.123619788e+00 -1.348496750e+00 5.30 -8.122013143e-01 -1.102976895e+00 -1.327624741e+00 5.32 -8.294963509e-01 -1.082595816e+00 -1.307122447e+00 5.34 -8.895359386e-01 -1.062474507e+00 -1.286985843e+00 5.36 -8.476488746e-01 -1.042610902e+00 -1.267210837e+00 5.38 -7.869368688e-01 -1.023002916e+00 -1.247793285e+00 5.40 -7.791915627e-01 -1.003648446e+00 -1.228728989e+00 5.42 -7.715156145e-01 -9.845453762e-01 -1.210013707e+00 5.44 -7.639088285e-01 -9.656915808e-01 -1.191643154e+00 5.46 -7.563709897e-01 -9.470849241e-01 -1.173613012e+00 5.48 -7.489018641e-01 -9.287232641e-01 -1.155918928e+00 5.50 -7.415012001e-01 -9.106044548e-01 -1.138556526e+00 5.52 -7.341687293e-01 -8.927263478e-01 -1.121521404e+00 5.54 -7.269041675e-01 -8.750867944e-01 -1.104809142e+00 5.56 -7.197072152e-01 -8.576836472e-01 -1.088415304e+00 5.58 -7.125775587e-01 -8.405147618e-01 -1.072335445e+00 5.60 -7.055148710e-01 -8.235779983e-01 -1.056565107e+00 5.62 -6.985188121e-01 -8.068712229e-01 -1.041099831e+00 5.64 -6.915890301e-01 -7.903923086e-01 -1.025935154e+00 5.66 -6.847251617e-01 -7.741391374e-01 -1.011066613e+00 5.68 -6.779268332e-01 -7.581096003e-01 -9.964897496e-01 5.70 -6.711936607e-01 -7.423015991e-01 -9.822001107e-01 5.72 -6.645252508e-01 -7.267130471e-01 -9.681932518e-01 5.74 -6.579212016e-01 -7.113418698e-01 -9.544647390e-01 5.76 -6.513811028e-01 -6.961860056e-01 -9.410101511e-01 5.78 -6.449045366e-01 -6.812434068e-01 -9.278250818e-01 5.80 -6.384910779e-01 -6.665120398e-01 -9.149051417e-01 5.82 -6.321402951e-01 -6.519898859e-01 -9.022459599e-01 5.84 -6.258517504e-01 -6.376749417e-01 -8.898431858e-01 5.86 -6.196250005e-01 -6.235652192e-01 -8.776924909e-01 5.88 -6.134595966e-01 -6.096587467e-01 -8.657895698e-01 5.90 -6.073550855e-01 -5.959535684e-01 -8.541301423e-01 5.92 -6.002561236e-01 -5.821812915e-01 -8.435392874e-01 5.94 -5.784750262e-01 -5.646543806e-01 -8.433952878e-01 5.96 -5.024441920e-01 -5.235268881e-01 -8.499059432e-01 5.98 -2.999976851e-01 -3.655308365e-01 -6.776091801e-01 6.00 -4.605522541e-22 -1.207605333e-21 -8.680957989e-22