# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Chen-Y-Liao-X-Gao-N-et-al--W-V # implementation = 2020--Chen-Y--W-V--LAMMPS--ipr1 # composition = V3W # 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 2022-12-14 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 2.332946475e+03 nan nan 0.88 2.124890996e+03 nan nan 0.90 1.933684448e+03 nan nan 0.92 1.749699199e+03 nan nan 0.94 1.585738482e+03 nan nan 0.96 1.439401842e+03 2.108574781e+03 2.387893311e+03 0.98 1.308796397e+03 1.936220443e+03 2.200594687e+03 1.00 1.192015253e+03 1.780284909e+03 2.030719982e+03 1.02 1.085665342e+03 1.623338299e+03 1.852852725e+03 1.04 9.901039494e+02 1.482158409e+03 1.692601346e+03 1.06 9.040583471e+02 1.355459926e+03 1.548070582e+03 1.08 8.264778243e+02 1.241207984e+03 1.417515848e+03 1.10 7.562454435e+02 1.137962458e+03 1.299385869e+03 1.12 6.925741056e+02 1.044570214e+03 1.192309718e+03 1.14 6.348170264e+02 9.600026971e+02 1.095107052e+03 1.16 5.823384398e+02 8.833392992e+02 1.006963164e+03 1.18 5.345813912e+02 8.137456370e+02 9.271399075e+02 1.20 4.909410876e+02 7.504599248e+02 8.543971692e+02 1.22 4.509812110e+02 6.927848780e+02 7.880328215e+02 1.24 4.143295919e+02 6.403019017e+02 7.274447901e+02 1.26 3.806676838e+02 5.922452676e+02 6.720860079e+02 1.28 3.497109531e+02 5.480623762e+02 6.214540136e+02 1.30 3.212050258e+02 5.073408140e+02 5.750911291e+02 1.32 2.949383960e+02 4.697123172e+02 5.325849342e+02 1.34 2.707170247e+02 4.348917278e+02 4.935458472e+02 1.36 2.483490524e+02 4.026496965e+02 4.576181513e+02 1.38 2.276322528e+02 3.727613234e+02 4.244795096e+02 1.40 2.083856723e+02 3.449904254e+02 3.938252276e+02 1.42 1.904911641e+02 3.191211844e+02 3.654228218e+02 1.44 1.738738171e+02 2.949744075e+02 3.390712803e+02 1.46 1.584603698e+02 2.723980738e+02 3.144877665e+02 1.48 1.441577128e+02 2.512585579e+02 2.915486095e+02 1.50 1.308761495e+02 2.314629928e+02 2.701561475e+02 1.52 1.185413148e+02 2.129444082e+02 2.502079189e+02 1.54 1.070892730e+02 1.956426780e+02 2.315827449e+02 1.56 9.645969145e+01 1.794960334e+02 2.141711972e+02 1.58 8.659854021e+01 1.644406663e+02 1.978765608e+02 1.60 7.745965207e+01 1.504190209e+02 1.826137804e+02 1.62 6.900063709e+01 1.373737637e+02 1.682998324e+02 1.64 6.120004768e+01 1.252449077e+02 1.548603436e+02 1.66 5.402548728e+01 1.139737697e+02 1.422386500e+02 1.68 4.742658446e+01 1.035051805e+02 1.303846184e+02 1.70 4.137554912e+01 9.378454515e+01 1.192524757e+02 1.72 3.583945094e+01 8.475775491e+01 1.088024935e+02 1.74 3.078733105e+01 7.641056543e+01 9.900440478e+01 1.76 2.619478461e+01 6.870231238e+01 8.983119333e+01 1.78 2.206227639e+01 6.154729350e+01 8.125723476e+01 1.80 1.842659056e+01 5.491438467e+01 7.325578370e+01 1.82 1.521894911e+01 4.877412221e+01 6.580044165e+01 1.84 1.235647225e+01 4.311112575e+01 5.886750033e+01 1.86 9.813304010e+00 3.790335751e+01 5.243708296e+01 1.88 7.562594949e+00 3.312216200e+01 4.650475292e+01 1.90 5.578450660e+00 2.874032316e+01 4.104438916e+01 1.92 3.838627059e+00 2.475043421e+01 3.602581472e+01 1.94 2.321847313e+00 2.114005462e+01 3.142013567e+01 1.96 1.007786193e+00 1.788381652e+01 2.720022659e+01 1.98 -1.218654992e-01 1.495710871e+01 2.335929331e+01 2.00 -1.082552493e+00 1.233577705e+01 1.988344737e+01 2.02 -1.878799884e+00 1.008605113e+01 1.688468200e+01 2.04 -2.538755969e+00 8.070711963e+00 1.416853013e+01 2.06 -3.077296857e+00 6.270675508e+00 1.171732095e+01 2.08 -3.513239602e+00 4.666629533e+00 9.514010626e+00 2.10 -3.866132370e+00 3.239960284e+00 7.541911351e+00 2.12 -4.154514520e+00 1.974682076e+00 5.785221068e+00 2.14 -4.396515127e+00 8.558322644e-01 4.227992626e+00 2.16 -4.606963059e+00 -1.303662160e-01 2.854368689e+00 2.18 -4.796621852e+00 -9.962788898e-01 1.648689501e+00 2.20 -4.973288148e+00 -1.751296745e+00 5.957079847e-01 2.22 -5.141426594e+00 -2.404227163e+00 -3.191654202e-01 2.24 -5.302842092e+00 -2.964051238e+00 -1.110298106e+00 2.26 -5.456206575e+00 -3.439845710e+00 -1.791801280e+00 2.28 -5.597870188e+00 -3.842607920e+00 -2.377484514e+00 2.30 -5.724121808e+00 -4.183803669e+00 -2.880907528e+00 2.32 -5.830828928e+00 -4.473994535e+00 -3.314830196e+00 2.34 -5.914620390e+00 -4.722244135e+00 -3.689995174e+00 2.36 -5.977606835e+00 -4.936248208e+00 -4.015859581e+00 2.38 -6.023159539e+00 -5.122797228e+00 -4.301229595e+00 2.40 -6.054098379e+00 -5.288637209e+00 -4.554975881e+00 2.42 -6.072950357e+00 -5.439317422e+00 -4.784325658e+00 2.44 -6.080866499e+00 -5.578565660e+00 -4.993907557e+00 2.46 -6.077901651e+00 -5.708218076e+00 -5.187057211e+00 2.48 -6.064347452e+00 -5.828383641e+00 -5.365289823e+00 2.50 -6.040732496e+00 -5.937620380e+00 -5.528106057e+00 2.52 -6.007607177e+00 -6.033558484e+00 -5.673643125e+00 2.54 -5.965549239e+00 -6.114552526e+00 -5.800345192e+00 2.56 -5.915263318e+00 -6.179477790e+00 -5.907147282e+00 2.58 -5.857647247e+00 -6.227501206e+00 -5.993225187e+00 2.60 -5.793678782e+00 -6.258126480e+00 -6.057986311e+00 2.62 -5.724269649e+00 -6.272097083e+00 -6.102615899e+00 2.64 -5.649896991e+00 -6.271337489e+00 -6.130183038e+00 2.66 -5.570926228e+00 -6.257667439e+00 -6.143572642e+00 2.68 -5.487693686e+00 -6.232711617e+00 -6.145308718e+00 2.70 -5.400436998e+00 -6.198027677e+00 -6.137795106e+00 2.72 -5.309243272e+00 -6.154825452e+00 -6.122845998e+00 2.74 -5.214297523e+00 -6.103946451e+00 -6.101671179e+00 2.76 -5.115855916e+00 -6.046235902e+00 -6.075419327e+00 2.78 -5.014181736e+00 -5.982548231e+00 -6.045181031e+00 2.80 -4.909497231e+00 -5.913926738e+00 -6.012018789e+00 2.82 -4.801936208e+00 -5.841250385e+00 -5.976665638e+00 2.84 -4.691534372e+00 -5.764888178e+00 -5.939049237e+00 2.86 -4.578311995e+00 -5.685183116e+00 -5.898990566e+00 2.88 -4.462473581e+00 -5.602531416e+00 -5.856346346e+00 2.90 -4.344556322e+00 -5.517316702e+00 -5.810955846e+00 2.92 -4.225108185e+00 -5.429857532e+00 -5.762632403e+00 2.94 -4.104670913e+00 -5.340453386e+00 -5.711183374e+00 2.96 -3.983760043e+00 -5.249376266e+00 -5.656435248e+00 2.98 -3.862820477e+00 -5.156772242e+00 -5.598250183e+00 3.00 -3.742280064e+00 -5.062741370e+00 -5.536531095e+00 3.02 -3.622570022e+00 -4.967349822e+00 -5.471171355e+00 3.04 -3.504149805e+00 -4.870684441e+00 -5.402089500e+00 3.06 -3.387372410e+00 -4.772829335e+00 -5.329214477e+00 3.08 -3.272389509e+00 -4.673846858e+00 -5.252485230e+00 3.10 -3.159330279e+00 -4.573779087e+00 -5.171827875e+00 3.12 -3.048330979e+00 -4.472670430e+00 -5.087180944e+00 3.14 -2.939577732e+00 -4.370600375e+00 -4.998583996e+00 3.16 -2.833270477e+00 -4.267628905e+00 -4.906099711e+00 3.18 -2.729606675e+00 -4.163819650e+00 -4.809790353e+00 3.20 -2.628781710e+00 -4.059237572e+00 -4.709725235e+00 3.22 -2.530992006e+00 -3.954050115e+00 -4.606163650e+00 3.24 -2.436381956e+00 -3.848532158e+00 -4.499577900e+00 3.26 -2.345020174e+00 -3.742950921e+00 -4.390439442e+00 3.28 -2.256964995e+00 -3.637576644e+00 -4.279226415e+00 3.30 -2.172252077e+00 -3.532674980e+00 -4.166426447e+00 3.32 -2.090892121e+00 -3.428504274e+00 -4.052539585e+00 3.34 -2.012839723e+00 -3.325330016e+00 -3.938074740e+00 3.36 -1.938028786e+00 -3.223417383e+00 -3.823515917e+00 3.38 -1.866388408e+00 -3.123030821e+00 -3.709335909e+00 3.40 -1.797836928e+00 -3.024433264e+00 -3.596004654e+00 3.42 -1.732253920e+00 -2.927819958e+00 -3.483892338e+00 3.44 -1.669477911e+00 -2.833269013e+00 -3.373200863e+00 3.46 -1.609337510e+00 -2.740843357e+00 -3.264110036e+00 3.48 -1.551654477e+00 -2.650600984e+00 -3.156798972e+00 3.50 -1.496241982e+00 -2.562586380e+00 -3.051449393e+00 3.52 -1.442904054e+00 -2.476838328e+00 -2.948241040e+00 3.54 -1.391480029e+00 -2.393388859e+00 -2.847340372e+00 3.56 -1.341860446e+00 -2.312271132e+00 -2.748907709e+00 3.58 -1.293938127e+00 -2.233521308e+00 -2.653099206e+00 3.60 -1.247599390e+00 -2.157174706e+00 -2.560067015e+00 3.62 -1.202731027e+00 -2.083231408e+00 -2.469912760e+00 3.64 -1.159210364e+00 -2.011626651e+00 -2.382656896e+00 3.66 -1.116922590e+00 -1.942312553e+00 -2.298313688e+00 3.68 -1.075765778e+00 -1.875262937e+00 -2.216896006e+00 3.70 -1.035652110e+00 -1.810448740e+00 -2.138414370e+00 3.72 -9.965029703e-01 -1.747820872e+00 -2.062852813e+00 3.74 -9.582432486e-01 -1.687310456e+00 -1.990164034e+00 3.76 -9.208107051e-01 -1.628871488e+00 -1.920296919e+00 3.78 -8.842113693e-01 -1.572469936e+00 -1.853201605e+00 3.80 -8.485102692e-01 -1.518070991e+00 -1.788824409e+00 3.82 -8.137935829e-01 -1.465628093e+00 -1.727091856e+00 3.84 -7.801565227e-01 -1.415090556e+00 -1.667924058e+00 3.86 -7.476797269e-01 -1.366406210e+00 -1.611240948e+00 3.88 -7.163788199e-01 -1.319519005e+00 -1.556959750e+00 3.90 -6.859009182e-01 -1.274371582e+00 -1.504994669e+00 3.92 -6.568326693e-01 -1.230910557e+00 -1.455257772e+00 3.94 -6.297441168e-01 -1.189088560e+00 -1.407662243e+00 3.96 -6.051096588e-01 -1.148860892e+00 -1.362119053e+00 3.98 -5.814150467e-01 -1.110182883e+00 -1.318535598e+00 4.00 -5.572453509e-01 -1.073007593e+00 -1.276815362e+00 4.02 -5.320022782e-01 -1.037285549e+00 -1.236849851e+00 4.04 -5.056019275e-01 -1.002963389e+00 -1.198518477e+00 4.06 -4.786479391e-01 -9.699901569e-01 -1.161697324e+00 4.08 -4.524993047e-01 -9.383155785e-01 -1.126261924e+00 4.10 -4.280187661e-01 -9.078738213e-01 -1.092091313e+00 4.12 -4.056323568e-01 -8.785738219e-01 -1.059066459e+00 4.14 -3.854452627e-01 -8.503277576e-01 -1.027068120e+00 4.16 -3.673741497e-01 -8.230293918e-01 -9.959756389e-01 4.18 -3.512298108e-01 -7.965822184e-01 -9.656599197e-01 4.20 -3.368175827e-01 -7.708732252e-01 -9.359907380e-01 4.22 -3.239404672e-01 -7.457976541e-01 -9.068636837e-01 4.24 -3.123803649e-01 -7.213049619e-01 -8.782103199e-01 4.26 -3.017742660e-01 -6.972375167e-01 -8.499472517e-01 4.28 -2.919449371e-01 -6.733279490e-01 -8.220041723e-01 4.30 -2.827821939e-01 -6.498521945e-01 -7.942658456e-01 4.32 -2.741754396e-01 -6.270286898e-01 -7.666715364e-01 4.34 -2.660468066e-01 -6.050873230e-01 -7.391553080e-01 4.36 -2.583253355e-01 -5.840776093e-01 -7.114464886e-01 4.38 -2.509362514e-01 -5.630262538e-01 -6.840288785e-01 4.40 -2.439362926e-01 -5.412073807e-01 -6.573169232e-01 4.42 -2.372963929e-01 -5.182308547e-01 -6.317517655e-01 4.44 -2.306361548e-01 -4.939564904e-01 -6.066407218e-01 4.46 -2.236150216e-01 -4.683778269e-01 -5.807103446e-01 4.48 -2.159442993e-01 -4.418322262e-01 -5.532889657e-01 4.50 -2.073909479e-01 -4.150719151e-01 -5.241581540e-01 4.52 -1.977824198e-01 -3.883760134e-01 -4.933523820e-01 4.54 -1.870096907e-01 -3.622889825e-01 -4.615345926e-01 4.56 -1.750262507e-01 -3.374027219e-01 -4.297357250e-01 4.58 -1.617769309e-01 -3.141188720e-01 -3.986535697e-01 4.60 -1.476322289e-01 -2.928432358e-01 -3.686685967e-01 4.62 -1.330863487e-01 -2.726199342e-01 -3.400756210e-01 4.64 -1.185660497e-01 -2.523099111e-01 -3.124313913e-01 4.66 -1.044313481e-01 -2.316654579e-01 -2.864381572e-01 4.68 -9.097842602e-02 -2.107921167e-01 -2.631915887e-01 4.70 -7.844429369e-02 -1.898772284e-01 -2.435578199e-01 4.72 -6.699363412e-02 -1.687451334e-01 -2.249075909e-01 4.74 -5.666857085e-02 -1.476258987e-01 -2.047221814e-01 4.76 -4.745500248e-02 -1.268114348e-01 -1.820640534e-01 4.78 -3.931253602e-02 -1.066003198e-01 -1.569399093e-01 4.80 -3.218378749e-02 -8.767642028e-02 -1.310779925e-01 4.82 -2.600124840e-02 -7.068478834e-02 -1.066181484e-01 4.84 -2.069299946e-02 -5.590168133e-02 -8.470543332e-02 4.86 -1.618529005e-02 -4.335762397e-02 -6.580980207e-02 4.88 -1.240458499e-02 -3.292814744e-02 -4.997312883e-02 4.90 -9.279028817e-03 -2.439856086e-02 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0.000000000e+00 6.126062217e-09 9.189093325e-09 5.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 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