# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Do-E-C-Shin-Y-H-Lee-B-J--In-N # implementation = 2009--Do-E-C--In-N--LAMMPS--ipr1 # composition = In3N # 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 2.114716226e+03 nan nan 0.80 1.926550655e+03 nan nan 0.82 1.755047734e+03 nan nan 0.84 1.598729285e+03 1.630276691e+03 nan 0.86 1.456250851e+03 1.498470036e+03 2.179131460e+03 0.88 1.326389048e+03 1.377240755e+03 2.005224984e+03 0.90 1.208030151e+03 1.265736623e+03 1.845110266e+03 0.92 1.100159827e+03 1.163175609e+03 1.697692606e+03 0.94 1.001853892e+03 1.068839879e+03 1.561965872e+03 0.96 9.122699982e+02 9.820703197e+02 1.437005036e+03 0.98 8.306401470e+02 9.022615180e+02 1.321959335e+03 1.00 7.562639450e+02 8.288571940e+02 1.216046042e+03 1.02 6.885025178e+02 7.613460385e+02 1.118544780e+03 1.04 6.267730104e+02 6.992579268e+02 1.028792354e+03 1.06 5.705436110e+02 6.421604754e+02 9.461780372e+02 1.08 5.193290409e+02 5.896559067e+02 8.701392857e+02 1.10 4.726864628e+02 5.413781970e+02 8.001578272e+02 1.12 4.302117622e+02 4.969904743e+02 7.357560933e+02 1.14 3.915361656e+02 4.561826486e+02 6.764939648e+02 1.16 3.563231618e+02 4.186692438e+02 6.219657905e+02 1.18 3.242656952e+02 3.841874192e+02 5.717976626e+02 1.20 2.950836079e+02 3.524951559e+02 5.256449159e+02 1.22 2.685213050e+02 3.233695979e+02 4.831898356e+02 1.24 2.443456233e+02 2.966055289e+02 4.441395507e+02 1.26 2.223438857e+02 2.720139748e+02 4.082240972e+02 1.28 2.023221231e+02 2.494209209e+02 3.751946374e+02 1.30 1.841034502e+02 2.286661313e+02 3.448218182e+02 1.32 1.675265816e+02 2.096020646e+02 3.168942613e+02 1.34 1.524444749e+02 1.920928738e+02 2.912171683e+02 1.36 1.387230912e+02 1.760134888e+02 2.676110373e+02 1.38 1.262402619e+02 1.612487681e+02 2.459104771e+02 1.40 1.148846533e+02 1.476927196e+02 2.259631140e+02 1.42 1.045548196e+02 1.352477813e+02 2.076285818e+02 1.44 9.515833819e+01 1.238241590e+02 1.907775908e+02 1.46 8.661101934e+01 1.133392153e+02 1.752910672e+02 1.48 7.883618370e+01 1.037169071e+02 1.610593590e+02 1.50 7.176400248e+01 9.488726577e+01 1.479815030e+02 1.52 6.533089470e+01 8.678591887e+01 1.359645473e+02 1.54 5.947897651e+01 7.935364894e+01 1.249229269e+02 1.56 5.415555833e+01 7.253598621e+01 1.147778858e+02 1.58 4.931268566e+01 6.628283382e+01 1.054569452e+02 1.60 4.490671974e+01 6.054812148e+01 9.689341091e+01 1.62 4.089795483e+01 5.528948689e+01 8.902591993e+01 1.64 3.725026883e+01 5.046798149e+01 8.179802116e+01 1.66 3.393080438e+01 4.604779958e+01 7.515778903e+01 1.68 3.090967794e+01 4.199602839e+01 6.905746656e+01 1.70 2.815971432e+01 3.828241786e+01 6.345313635e+01 1.72 2.565620453e+01 3.487916846e+01 5.830441687e+01 1.74 2.337668491e+01 3.176073559e+01 5.357418237e+01 1.76 2.130073572e+01 2.890364945e+01 4.922830468e+01 1.78 1.940979749e+01 2.628634894e+01 4.523541485e+01 1.80 1.768700362e+01 2.388902887e+01 4.156668375e+01 1.82 1.611702778e+01 2.169349892e+01 3.819561939e+01 1.84 1.468594484e+01 1.968305406e+01 3.509788049e+01 1.86 1.338110415e+01 1.784235493e+01 3.225110433e+01 1.88 1.219101413e+01 1.615731791e+01 2.963474838e+01 1.90 1.110523707e+01 1.461501374e+01 2.722994422e+01 1.92 1.011429340e+01 1.320357433e+01 2.501936300e+01 1.94 9.209574467e+00 1.191210687e+01 2.298709158e+01 1.96 8.383263156e+00 1.073061483e+01 2.111851833e+01 1.98 7.628261624e+00 9.649925271e+00 1.940022815e+01 2.00 6.938125525e+00 8.661621876e+00 1.781990563e+01 2.02 6.307004164e+00 7.757983479e+00 1.636624603e+01 2.04 5.729586050e+00 6.931927355e+00 1.502887329e+01 2.06 5.201049365e+00 6.176957187e+00 1.379826460e+01 2.08 4.717016921e+00 5.487115120e+00 1.266568094e+01 2.10 4.273515201e+00 4.856937729e+00 1.162310325e+01 2.12 3.866937116e+00 4.281415499e+00 1.066317367e+01 2.14 3.494008163e+00 3.755955586e+00 9.779141471e+00 2.16 3.151755656e+00 3.276347590e+00 8.964813407e+00 2.18 2.837480772e+00 2.838732072e+00 8.214507972e+00 2.20 2.548733159e+00 2.439571660e+00 7.523013435e+00 2.22 2.283287863e+00 2.075624452e+00 6.885549187e+00 2.24 2.039124384e+00 1.743919631e+00 6.297730282e+00 2.26 1.814407646e+00 1.441735010e+00 5.755534797e+00 2.28 1.607470734e+00 1.166576456e+00 5.255273886e+00 2.30 1.416799213e+00 9.161589566e-01 4.793564240e+00 2.32 1.241016903e+00 6.883892546e-01 4.367302806e+00 2.34 1.078872975e+00 4.813498951e-01 3.973643562e+00 2.36 9.292302349e-01 2.932845826e-01 3.609976194e+00 2.38 7.910545042e-01 1.225847426e-01 3.273906518e+00 2.40 6.634049880e-01 -3.222281888e-02 2.963238504e+00 2.42 5.454255391e-01 -1.724872285e-01 2.675957789e+00 2.44 4.363367406e-01 -2.994439391e-01 2.410216523e+00 2.46 3.354287282e-01 -4.142242506e-01 2.164319496e+00 2.48 2.420546853e-01 -5.178640567e-01 1.936711376e+00 2.50 1.556249494e-01 -6.113118549e-01 1.725965035e+00 2.52 7.560167147e-02 -6.954361017e-01 1.530770813e+00 2.54 1.493979251e-03 -7.710319492e-01 1.349926695e+00 2.56 -6.714640436e-02 -8.388274253e-01 1.182329292e+00 2.58 -1.307291287e-01 -8.994890974e-01 1.026965572e+00 2.60 -1.896288079e-01 -9.536272618e-01 8.829052932e-01 2.62 -2.441882738e-01 -1.001800702e+00 7.492940482e-01 2.64 -2.947215196e-01 -1.044521047e+00 6.253469102e-01 2.66 -3.415163660e-01 -1.082256763e+00 5.103425970e-01 2.68 -3.848368725e-01 -1.115436810e+00 4.036181322e-01 2.70 -4.249255210e-01 -1.144453996e+00 3.045639502e-01 2.72 -4.620051909e-01 -1.169668039e+00 2.126194159e-01 2.74 -4.962809469e-01 -1.191408382e+00 1.272687195e-01 2.76 -5.279416560e-01 -1.209976758e+00 4.803711930e-02 2.78 -5.571614518e-01 -1.225649548e+00 -2.551250036e-02 2.80 -5.841010577e-01 -1.238679937e+00 -9.378277846e-02 2.82 -6.089089858e-01 -1.249299880e+00 -1.571447609e-01 2.84 -6.317226208e-01 -1.257721915e+00 -2.159405402e-01 2.86 -6.526692006e-01 -1.264140804e+00 -2.704856701e-01 2.88 -6.718667050e-01 -1.268735051e+00 -3.210713768e-01 2.90 -6.894246584e-01 -1.271668281e+00 -3.679665811e-01 2.92 -7.054448576e-01 -1.273090503e+00 -4.114197488e-01 2.94 -7.200220302e-01 -1.273139266e+00 -4.516605845e-01 2.96 -7.332444311e-01 -1.271940716e+00 -4.889015799e-01 2.98 -7.451943820e-01 -1.269610563e+00 -5.233394313e-01 3.00 -7.559487618e-01 -1.266254961e+00 -5.551563354e-01 3.02 -7.655794489e-01 -1.261971321e+00 -5.845211754e-01 3.04 -7.741537243e-01 -1.256849045e+00 -6.115906059e-01 3.06 -7.817346355e-01 -1.250970202e+00 -6.365100444e-01 3.08 -7.883813278e-01 -1.244410145e+00 -6.594145795e-01 3.10 -7.941493449e-01 -1.237238074e+00 -6.804298008e-01 3.12 -7.990909012e-01 -1.229517552e+00 -6.996725589e-01 3.14 -8.032551301e-01 -1.221306974e+00 -7.172516599e-01 3.16 -8.066883097e-01 -1.212659999e+00 -7.332685014e-01 3.18 -8.094340678e-01 -1.203625941e+00 -7.478176542e-01 3.20 -8.107699935e-01 -1.194250128e+00 -7.609873951e-01 3.22 -7.917748433e-01 -1.184574230e+00 -7.728601935e-01 3.24 -6.823511039e-01 -1.174636559e+00 -7.835131585e-01 3.26 -4.436081612e-01 -1.164472344e+00 -7.930184469e-01 3.28 -4.126128760e-01 -1.154113976e+00 -8.014436370e-01 3.30 -4.135400893e-01 -1.143591241e+00 -8.088520723e-01 3.32 -4.141737961e-01 -1.132931526e+00 -8.153031745e-01 3.34 -4.145250605e-01 -1.122160007e+00 -8.208527322e-01 3.36 -4.146047831e-01 -1.111299828e+00 -8.255531643e-01 3.38 -4.144237001e-01 -1.100372205e+00 -8.294537625e-01 3.40 -4.139923804e-01 -1.089066407e+00 -8.326009131e-01 3.42 -4.133212219e-01 -1.074162153e+00 -8.350383013e-01 3.44 -4.124204478e-01 -1.048889662e+00 -8.368070983e-01 3.46 -4.113001023e-01 -1.016182560e+00 -8.379461337e-01 3.48 -4.099700451e-01 -1.003426045e+00 -8.384920536e-01 3.50 -4.088935094e-01 -9.921596714e-01 -8.384794662e-01 3.52 -4.299644620e-01 -9.810072914e-01 -8.379410762e-01 3.54 -5.509022164e-01 -9.699743275e-01 -8.369078078e-01 3.56 -7.855490331e-01 -9.590654491e-01 -8.354089192e-01 3.58 -8.192750548e-01 -9.482846193e-01 -8.334721071e-01 3.60 -8.056837768e-01 -9.376351373e-01 -8.311236039e-01 3.62 -7.921707907e-01 -9.271196747e-01 -8.283882674e-01 3.64 -7.787451909e-01 -9.167403090e-01 -8.252896636e-01 3.66 -7.654153660e-01 -9.064985518e-01 -8.218501437e-01 3.68 -7.521890367e-01 -8.963953745e-01 -8.180909146e-01 3.70 -7.390732921e-01 -8.864312301e-01 -8.140321056e-01 3.72 -7.260746239e-01 -8.766060726e-01 -8.096928291e-01 3.74 -7.131989599e-01 -8.669193742e-01 -8.050912378e-01 3.76 -7.004516947e-01 -8.573701397e-01 -8.002445776e-01 3.78 -6.878377201e-01 -8.479569194e-01 -7.951692367e-01 3.80 -6.753614529e-01 -8.386778214e-01 -7.898807918e-01 3.82 -6.630268623e-01 -8.295305213e-01 -7.843940510e-01 3.84 -6.508374955e-01 -8.205122727e-01 -7.787230939e-01 3.86 -6.387965022e-01 -8.116199169e-01 -7.728813090e-01 3.88 -6.269066577e-01 -8.028498924e-01 -7.668814289e-01 3.90 -6.151703853e-01 -7.941982456e-01 -7.607355634e-01 3.92 -6.023579305e-01 -7.853209719e-01 -7.548065033e-01 3.94 -5.726692764e-01 -7.705962726e-01 -7.515689837e-01 3.96 -4.832600905e-01 -7.183712887e-01 -7.328844605e-01 3.98 -2.716752595e-01 -4.963582582e-01 -5.459032188e-01 4.00 -1.820582028e-22 -3.681762242e-22 -4.097521942e-22 4.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 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