# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = MoW3 # 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 2024-04-11 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 nan nan nan 1.12 nan nan nan 1.14 5.157908874e+02 nan nan 1.16 4.724438683e+02 nan nan 1.18 4.328387873e+02 nan nan 1.20 3.966196802e+02 nan nan 1.22 3.634633675e+02 nan nan 1.24 3.330746569e+02 nan nan 1.26 3.051842058e+02 nan nan 1.28 2.795503972e+02 4.428532341e+02 5.121451913e+02 1.30 2.559630710e+02 4.086835068e+02 4.735513109e+02 1.32 2.342453122e+02 3.772176640e+02 4.378892798e+02 1.34 2.142504028e+02 3.482079001e+02 4.048911045e+02 1.36 1.958541584e+02 3.214202539e+02 3.743274021e+02 1.38 1.789457645e+02 2.966393344e+02 3.460061995e+02 1.40 1.634204868e+02 2.736744103e+02 3.197642685e+02 1.42 1.491757120e+02 2.523629715e+02 2.954563969e+02 1.44 1.361098586e+02 2.325696768e+02 2.729476483e+02 1.46 1.241230224e+02 2.141815038e+02 2.521099034e+02 1.48 1.131185018e+02 1.971016760e+02 2.328210126e+02 1.50 1.030047911e+02 1.812447012e+02 2.149645413e+02 1.52 9.369773473e+01 1.665334133e+02 1.984293673e+02 1.54 8.512239040e+01 1.528975592e+02 1.831095606e+02 1.56 7.721409719e+01 1.402729339e+02 1.689051467e+02 1.58 6.991846103e+01 1.286003068e+02 1.557236925e+02 1.60 6.319030094e+01 1.178239413e+02 1.434819140e+02 1.62 5.699184380e+01 1.078899600e+02 1.321063775e+02 1.64 5.129055379e+01 9.874496367e+01 1.215329272e+02 1.66 4.605698621e+01 9.033521790e+01 1.117051789e+02 1.68 4.126300048e+01 8.260650551e+01 1.025727583e+02 1.70 3.688056067e+01 7.550452948e+01 9.408985393e+01 1.72 3.288119998e+01 6.897564247e+01 8.621433097e+01 1.74 2.923605723e+01 6.296769686e+01 7.890734290e+01 1.76 2.591626067e+01 5.743090130e+01 7.213318228e+01 1.78 2.289339549e+01 5.231866117e+01 6.585907193e+01 1.80 2.014116512e+01 4.758841497e+01 6.005471791e+01 1.82 1.763478435e+01 4.320242966e+01 5.469164734e+01 1.84 1.535118765e+01 3.912841051e+01 4.974250438e+01 1.86 1.326737676e+01 3.533970464e+01 4.518048696e+01 1.88 1.136122349e+01 3.181493233e+01 4.097900505e+01 1.90 9.612875081e+00 2.853706627e+01 3.711153163e+01 1.92 8.005060460e+00 2.549218155e+01 3.355157963e+01 1.94 6.523182929e+00 2.266825753e+01 3.027277614e+01 1.96 5.155174665e+00 2.005533080e+01 2.724906633e+01 1.98 3.891168017e+00 1.764350084e+01 2.445510390e+01 2.00 2.723074654e+00 1.542315300e+01 2.186690038e+01 2.02 1.644157590e+00 1.338245556e+01 1.946402955e+01 2.04 6.486528360e-01 1.150910313e+01 1.722874459e+01 2.06 -2.685333365e-01 9.790555866e+00 1.514650652e+01 2.08 -1.112048294e+00 8.214171190e+00 1.320391441e+01 2.10 -1.886247129e+00 6.767404907e+00 1.139047438e+01 2.12 -2.595290266e+00 5.438082029e+00 9.698162037e+00 2.14 -3.243198042e+00 4.214711679e+00 8.120783284e+00 2.16 -3.833874245e+00 3.086792200e+00 6.653333565e+00 2.18 -4.371108797e+00 2.045041365e+00 5.291450944e+00 2.20 -4.858567729e+00 1.081501863e+00 4.031008117e+00 2.22 -5.299776564e+00 1.895076971e-01 2.867848393e+00 2.24 -5.698101275e+00 -6.364648131e-01 1.797646162e+00 2.26 -6.056729351e+00 -1.401013691e+00 8.158610643e-01 2.28 -6.378652309e+00 -2.108044064e+00 -8.224722485e-02 2.30 -6.666650314e+00 -2.760977301e+00 -9.015731615e-01 2.32 -6.923279221e+00 -3.362914965e+00 -1.647110897e+00 2.34 -7.150860448e+00 -3.916752303e+00 -2.323904546e+00 2.36 -7.351474302e+00 -4.425246699e+00 -2.937007268e+00 2.38 -7.526957724e+00 -4.891051281e+00 -3.491445795e+00 2.40 -7.678907661e+00 -5.316724542e+00 -3.992182851e+00 2.42 -7.808656436e+00 -5.704725231e+00 -4.444069771e+00 2.44 -7.917108349e+00 -6.057399516e+00 -4.851785462e+00 2.46 -8.005431879e+00 -6.376965305e+00 -5.219764130e+00 2.48 -8.074717271e+00 -6.665497018e+00 -5.552120561e+00 2.50 -8.125902902e+00 -6.924913021e+00 -5.852585528e+00 2.52 -8.159818376e+00 -7.156967340e+00 -6.124463428e+00 2.54 -8.177223402e+00 -7.363246838e+00 -6.370619708e+00 2.56 -8.178838638e+00 -7.545174753e+00 -6.593498819e+00 2.58 -8.164937609e+00 -7.704021070e+00 -6.795167109e+00 2.60 -8.134887544e+00 -7.840919586e+00 -6.977371098e+00 2.62 -8.088155962e+00 -7.956890231e+00 -7.141600763e+00 2.64 -8.024353884e+00 -8.052731778e+00 -7.289149180e+00 2.66 -7.943220181e+00 -8.129263804e+00 -7.421162842e+00 2.68 -7.844623159e+00 -8.187510128e+00 -7.538680077e+00 2.70 -7.728580966e+00 -8.228521907e+00 -7.642547619e+00 2.72 -7.595281453e+00 -8.253334801e+00 -7.733542207e+00 2.74 -7.444924694e+00 -8.262982042e+00 -7.812702577e+00 2.76 -7.277870291e+00 -8.258499995e+00 -7.880982441e+00 2.78 -7.094836856e+00 -8.240926451e+00 -7.939242445e+00 2.80 -6.896908145e+00 -8.211013929e+00 -7.988248898e+00 2.82 -6.685504677e+00 -8.168765796e+00 -8.028669866e+00 2.84 -6.462321603e+00 -8.114232677e+00 -8.061069984e+00 2.86 -6.229237536e+00 -8.047594080e+00 -8.085902467e+00 2.88 -5.988206520e+00 -7.969140718e+00 -8.103163886e+00 2.90 -5.741150300e+00 -7.879270909e+00 -8.112301543e+00 2.92 -5.489868765e+00 -7.778489796e+00 -8.112882601e+00 2.94 -5.235982562e+00 -7.667385961e+00 -8.104467705e+00 2.96 -4.980914572e+00 -7.546361241e+00 -8.086598007e+00 2.98 -4.725908308e+00 -7.415749923e+00 -8.058792211e+00 3.00 -4.472073827e+00 -7.276026884e+00 -8.020550657e+00 3.02 -4.220446895e+00 -7.127776059e+00 -7.971365525e+00 3.04 -3.972045830e+00 -6.971644706e+00 -7.910722417e+00 3.06 -3.727912404e+00 -6.808293460e+00 -7.837968448e+00 3.08 -3.489127642e+00 -6.638348107e+00 -7.752405695e+00 3.10 -3.256799273e+00 -6.462359070e+00 -7.653423034e+00 3.12 -3.032023666e+00 -6.280773247e+00 -7.540506377e+00 3.14 -2.815830233e+00 -6.093920745e+00 -7.413243691e+00 3.16 -2.609119389e+00 -5.902016736e+00 -7.271327299e+00 3.18 -2.412605814e+00 -5.705176847e+00 -7.114554510e+00 3.20 -2.226776923e+00 -5.503443404e+00 -6.942828451e+00 3.22 -2.051872806e+00 -5.296819578e+00 -6.756161486e+00 3.24 -1.887889524e+00 -5.085308675e+00 -6.554683619e+00 3.26 -1.734603567e+00 -4.868956226e+00 -6.338657840e+00 3.28 -1.591612307e+00 -4.647892820e+00 -6.108503352e+00 3.30 -1.458383831e+00 -4.422375651e+00 -5.864826257e+00 3.32 -1.334309437e+00 -4.192826468e+00 -5.608455545e+00 3.34 -1.218753007e+00 -3.959863140e+00 -5.340480467e+00 3.36 -1.111092974e+00 -3.724321620e+00 -5.062283754e+00 3.38 -1.010754228e+00 -3.487264901e+00 -4.775564041e+00 3.40 -9.172288669e-01 -3.249975895e+00 -4.482340607e+00 3.42 -8.300859309e-01 -3.013932160e+00 -4.184934479e+00 3.44 -7.489713188e-01 -2.780762109e+00 -3.885922141e+00 3.46 -6.735997459e-01 -2.552184519e+00 -3.588061484e+00 3.48 -6.037410843e-01 -2.329935537e+00 -3.294193695e+00 3.50 -5.392035882e-01 -2.115689419e+00 -3.007128762e+00 3.52 -4.798164261e-01 -1.910980481e+00 -2.729525365e+00 3.54 -4.254136157e-01 -1.717133841e+00 -2.463777251e+00 3.56 -3.758209361e-01 -1.535211431e+00 -2.211917569e+00 3.58 -3.308467613e-01 -1.365977660e+00 -1.975550023e+00 3.60 -2.902771100e-01 -1.209886436e+00 -1.755811795e+00 3.62 -2.538746605e-01 -1.067088608e+00 -1.553368878e+00 3.64 -2.213810117e-01 -9.374567011e-01 -1.368440494e+00 3.66 -1.925213033e-01 -8.206223830e-01 -1.200846468e+00 3.68 -1.670102507e-01 -7.160215949e-01 -1.050069988e+00 3.70 -1.445586684e-01 -6.229425077e-01 -9.153280218e-01 3.72 -1.248795653e-01 -5.405722470e-01 -7.956426070e-01 3.74 -1.076940523e-01 -4.680394142e-01 -6.899077359e-01 3.76 -9.273608551e-02 -4.044505484e-01 -5.969482884e-01 3.78 -7.975539407e-02 -3.489196853e-01 -5.155691186e-01 3.80 -6.851985266e-02 -3.005909608e-01 -4.445937429e-01 3.82 -5.881680628e-02 -2.586547634e-01 -3.828930702e-01 3.84 -5.045351680e-02 -2.223582642e-01 -3.294052385e-01 3.86 -4.325691478e-02 -1.910113048e-01 -2.831479429e-01 3.88 -3.707283979e-02 -1.639886308e-01 -2.432247306e-01 3.90 -3.176492997e-02 -1.407293882e-01 -2.088266709e-01 3.92 -2.721319768e-02 -1.207346797e-01 -1.792306520e-01 3.94 -2.331209165e-02 -1.035638383e-01 -1.537953584e-01 3.96 -1.997073736e-02 -8.882993725e-02 -1.319557758e-01 3.98 -1.711028905e-02 -7.619494119e-02 -1.132168774e-01 4.00 -1.466236737e-02 -6.536477453e-02 -9.714697859e-02 4.02 -1.256788940e-02 -5.608450264e-02 -8.337110385e-02 4.04 -1.077595530e-02 -4.813376778e-02 -7.156461215e-02 4.06 -9.242817922e-03 -4.132258433e-02 -6.144720184e-02 4.08 -7.930947750e-03 -3.548735761e-02 -5.277739216e-02 4.10 -6.808196462e-03 -3.048713909e-02 -4.534753383e-02 4.12 -5.847056867e-03 -2.620151278e-02 -3.897935295e-02 4.14 -5.024013484e-03 -2.252790153e-02 -3.351974624e-02 4.16 -4.318976383e-03 -1.937825422e-02 -2.883705580e-02 4.18 -3.714790140e-03 -1.667706944e-02 -2.481974227e-02 4.20 -3.196809670e-03 -1.435969138e-02 -2.137239444e-02 4.22 -2.752535126e-03 -1.237080163e-02 -1.841318247e-02 4.24 -2.371298181e-03 -1.066309844e-02 -1.587201309e-02 4.26 -2.043993411e-03 -9.196149086e-03 -1.368889637e-02 4.28 -1.762848388e-03 -7.935397914e-03 -1.181251565e-02 4.30 -1.521227285e-03 -6.851312596e-03 -1.019898550e-02 4.32 -1.313463258e-03 -5.918651396e-03 -8.810778735e-03 4.34 -1.134715504e-03 -5.115835731e-03 -7.615803398e-03 4.36 -9.808474257e-04 -4.424413723e-03 -6.586610993e-03 4.38 -8.483228830e-04 -3.828602080e-03 -5.699718685e-03 4.40 -7.341177336e-04 -3.314895181e-03 -4.935029956e-03 4.42 -6.356446043e-04 -2.871731690e-03 -4.275339897e-03 4.44 -5.506887807e-04 -2.489210325e-03 -3.705913074e-03 4.46 -4.773536233e-04 -2.158847565e-03 -3.214123453e-03 4.48 -4.140140809e-04 -1.873371125e-03 -2.789147335e-03 4.50 -3.592770913e-04 -1.626543906e-03 -2.421701515e-03 4.52 -3.119478381e-04 -1.413013885e-03 -2.103819935e-03 4.54 -2.710010121e-04 -1.228186115e-03 -1.828663427e-03 4.56 -2.355562691e-04 -1.068113522e-03 -1.590356914e-03 4.58 -2.048573388e-04 -9.294037330e-04 -1.383850963e-03 4.60 -1.782541798e-04 -8.091395273e-04 -1.204803351e-03 4.62 -1.551877515e-04 -7.048109117e-04 -1.049477966e-03 4.64 -1.351770098e-04 -6.142570820e-04 -9.146584333e-04 4.66 -1.178077964e-04 -5.356168166e-04 -7.975742809e-04 4.68 -1.027233415e-04 -4.672860534e-04 -6.958378011e-04 4.70 -8.961614229e-05 -4.078815947e-04 -6.073900287e-04 4.72 -7.822101277e-05 -3.562100366e-04 -5.304544969e-04 4.74 -6.830913491e-05 -3.112411589e-04 -4.634976319e-04 4.76 -5.968296268e-05 -2.720851235e-04 -4.051948141e-04 4.78 -5.217185493e-05 -2.379729234e-04 -3.544012800e-04 4.80 -4.562833089e-05 -2.082395906e-04 -3.101271619e-04 4.82 -3.992485781e-05 -1.823098975e-04 -2.715160643e-04 4.84 -3.495109335e-05 -1.596858481e-04 -2.378266667e-04 4.86 -3.061151743e-05 -1.399361608e-04 -2.084169163e-04 4.88 -2.682339716e-05 -1.226871119e-04 -1.827304386e-04 4.90 -2.351503720e-05 -1.076146821e-04 -1.602848487e-04 4.92 -2.062427465e-05 -9.443779867e-05 -1.406616918e-04 4.94 -1.809718350e-05 -8.291251550e-05 -1.234977808e-04 4.96 -1.588695910e-05 -7.282699950e-05 -1.084777332e-04 4.98 -1.395295685e-05 -6.399720852e-05 -9.532753793e-05 5.00 -1.225986348e-05 -5.626316377e-05 -8.380900677e-05 5.02 -1.077698227e-05 -4.948573309e-05 -7.371498591e-05 5.04 -9.477616136e-06 -4.354385362e-05 -6.486522188e-05 5.06 -8.338534941e-06 -3.833213260e-05 -5.710279007e-05 5.08 -7.339515328e-06 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-7.532519614e-07 5.80 -9.598259507e-08 -4.509164726e-07 -6.722717098e-07 5.82 -8.563699341e-08 -4.025574946e-07 -6.001867136e-07 5.84 -7.643035569e-08 -3.594973034e-07 -5.359988018e-07 5.86 -6.823462928e-08 -3.211428074e-07 -4.788242061e-07 5.88 -6.093646151e-08 -2.869687152e-07 -4.278801713e-07 5.90 -5.443547693e-08 -2.565096214e-07 -3.824731662e-07 5.92 -4.864276070e-08 -2.293530355e-07 -3.419884985e-07 5.94 -4.347952289e-08 -2.051332387e-07 -3.058811640e-07 5.96 -3.887592154e-08 -1.835258694e-07 -2.736677797e-07 5.98 -3.477002546e-08 -1.642431481e-07 -2.449194706e-07 6.00 -3.110689968e-08 -1.470296653e-07 -2.192555946e-07