# 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 = Cu3Fe # 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 1.363848680e+02 nan nan 1.16 1.238240159e+02 nan nan 1.18 1.123995124e+02 nan nan 1.20 1.020060599e+02 nan nan 1.22 9.254631108e+01 nan nan 1.24 8.392889168e+01 nan nan 1.26 7.607110408e+01 nan nan 1.28 6.890103138e+01 1.152349573e+02 1.351435971e+02 1.30 6.235608264e+01 1.054172104e+02 1.239471948e+02 1.32 5.638032173e+01 9.640324909e+01 1.136470507e+02 1.34 5.092334859e+01 8.811626874e+01 1.041694334e+02 1.36 4.594057451e+01 8.049114635e+01 9.544773010e+01 1.38 4.139306318e+01 7.347329667e+01 8.742119474e+01 1.40 3.724599450e+01 6.701582986e+01 8.003429813e+01 1.42 3.346652813e+01 6.107708098e+01 7.323602179e+01 1.44 3.002243063e+01 5.561878806e+01 6.697918288e+01 1.46 2.688208759e+01 5.060472474e+01 6.121982963e+01 1.48 2.401604660e+01 4.599996770e+01 5.591664263e+01 1.50 2.139829205e+01 4.177105306e+01 5.103085123e+01 1.52 1.900683131e+01 3.788675018e+01 4.652700189e+01 1.54 1.682311329e+01 3.431856335e+01 4.237383274e+01 1.56 1.483084279e+01 3.104074085e+01 3.854430445e+01 1.58 1.301490269e+01 2.802961667e+01 3.501471212e+01 1.60 1.136076945e+01 2.526370097e+01 3.176379257e+01 1.62 9.854412736e+00 2.272379605e+01 2.877173081e+01 1.64 8.482501370e+00 2.039294174e+01 2.601968454e+01 1.66 7.232769588e+00 1.825597405e+01 2.348915638e+01 1.68 6.094391675e+00 1.629878101e+01 2.116173201e+01 1.70 5.058161326e+00 1.450760090e+01 1.901953358e+01 1.72 4.116358830e+00 1.286862926e+01 1.704611134e+01 1.74 3.262380121e+00 1.136806589e+01 1.522717754e+01 1.76 2.490301733e+00 9.992563091e+00 1.355070792e+01 1.78 1.794513959e+00 8.729852388e+00 1.200647058e+01 1.80 1.169472498e+00 7.569253331e+00 1.058539048e+01 1.82 6.095721436e-01 6.501855079e+00 9.279085681e+00 1.84 1.091290459e-01 5.520335944e+00 8.079659021e+00 1.86 -3.375536844e-01 4.618549100e+00 6.979650326e+00 1.88 -7.360699621e-01 3.791070918e+00 5.972014979e+00 1.90 -1.091773998e+00 3.032860455e+00 5.050055737e+00 1.92 -1.409644502e+00 2.339081617e+00 4.207317390e+00 1.94 -1.694169440e+00 1.705065555e+00 3.437494829e+00 1.96 -1.949270743e+00 1.126355989e+00 2.734401155e+00 1.98 -2.178278846e+00 5.987738975e-01 2.092023517e+00 2.00 -2.383951714e+00 1.184557547e-01 1.504669487e+00 2.02 -2.568526035e+00 -3.181474970e-01 9.671649783e-01 2.04 -2.733792001e+00 -7.142966499e-01 4.750213311e-01 2.06 -2.881186699e+00 -1.072995453e+00 2.448981965e-02 2.08 -3.011896873e+00 -1.397015994e+00 -3.875189725e-01 2.10 -3.126955496e+00 -1.688918255e+00 -7.636040184e-01 2.12 -3.227318047e+00 -1.951068985e+00 -1.106058905e+00 2.14 -3.313913300e+00 -2.185664807e+00 -1.417022780e+00 2.16 -3.387671738e+00 -2.394761490e+00 -1.698580974e+00 2.18 -3.449537121e+00 -2.580307513e+00 -1.952818768e+00 2.20 -3.500464470e+00 -2.744176690e+00 -2.181834486e+00 2.22 -3.541410299e+00 -2.888193794e+00 -2.387715366e+00 2.24 -3.574073921e+00 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-3.105859854e+00 -3.654749859e+00 -3.689009545e+00 2.62 -3.047320020e+00 -3.629278451e+00 -3.678286164e+00 2.64 -2.986660517e+00 -3.598037885e+00 -3.663590001e+00 2.66 -2.923933411e+00 -3.561372187e+00 -3.645229413e+00 2.68 -2.859206415e+00 -3.519697895e+00 -3.623429602e+00 2.70 -2.792565420e+00 -3.473500822e+00 -3.598349861e+00 2.72 -2.724116547e+00 -3.423322781e+00 -3.570097763e+00 2.74 -2.653988105e+00 -3.369736753e+00 -3.538750332e+00 2.76 -2.582332563e+00 -3.313313816e+00 -3.504372076e+00 2.78 -2.509328540e+00 -3.254589330e+00 -3.467027529e+00 2.80 -2.435182788e+00 -3.194036901e+00 -3.426788472e+00 2.82 -2.360132065e+00 -3.132055687e+00 -3.383737163e+00 2.84 -2.284444632e+00 -3.068971480e+00 -3.337967070e+00 2.86 -2.208420768e+00 -3.005047529e+00 -3.289582262e+00 2.88 -2.132391396e+00 -2.940499235e+00 -3.238696179e+00 2.90 -2.056713772e+00 -2.875507742e+00 -3.185430141e+00 2.92 -1.981763398e+00 -2.810229732e+00 -3.129911775e+00 2.94 -1.907921906e+00 -2.744803003e+00 -3.072273522e+00 2.96 -1.835561561e+00 -2.679348850e+00 -3.012651444e+00 2.98 -1.765027977e+00 -2.613972718e+00 -2.951184655e+00 3.00 -1.696623284e+00 -2.548764417e+00 -2.888015727e+00 3.02 -1.630592140e+00 -2.483798703e+00 -2.823292357e+00 3.04 -1.567112505e+00 -2.419136595e+00 -2.757170292e+00 3.06 -1.506292192e+00 -2.354827460e+00 -2.689817186e+00 3.08 -1.448171125e+00 -2.290911764e+00 -2.621416551e+00 3.10 -1.392728283e+00 -2.227424320e+00 -2.552170672e+00 3.12 -1.339891798e+00 -2.164397857e+00 -2.482301278e+00 3.14 -1.289550468e+00 -2.101866730e+00 -2.412047142e+00 3.16 -1.241565229e+00 -2.039870561e+00 -2.341658614e+00 3.18 -1.195779489e+00 -1.978457533e+00 -2.271390045e+00 3.20 -1.152027738e+00 -1.917687032e+00 -2.201491749e+00 3.22 -1.110142216e+00 -1.857631262e+00 -2.132203229e+00 3.24 -1.069957748e+00 -1.798375510e+00 -2.063748746e+00 3.26 -1.031314996e+00 -1.740016826e+00 -1.996335339e+00 3.28 -9.940624654e-01 -1.682661047e+00 -1.930152465e+00 3.30 -9.580576026e-01 -1.626418333e+00 -1.865372075e+00 3.32 -9.231672706e-01 -1.571397641e+00 -1.802148124e+00 3.34 -8.892678694e-01 -1.517700733e+00 -1.740615032e+00 3.36 -8.562453167e-01 -1.465416427e+00 -1.680885334e+00 3.38 -8.239950861e-01 -1.414615755e+00 -1.623047098e+00 3.40 -7.924224865e-01 -1.365348526e+00 -1.567161908e+00 3.42 -7.614433480e-01 -1.317641560e+00 -1.513264020e+00 3.44 -7.309852462e-01 -1.271498592e+00 -1.461361005e+00 3.46 -7.009893301e-01 -1.226901632e+00 -1.411435856e+00 3.48 -6.714127093e-01 -1.183813407e+00 -1.363450276e+00 3.50 -6.422311960e-01 -1.142180490e+00 -1.317348706e+00 3.52 -6.134420050e-01 -1.101936728e+00 -1.273062619e+00 3.54 -5.850658233e-01 -1.063006674e+00 -1.230514696e+00 3.56 -5.571475233e-01 -1.025308828e+00 -1.189622560e+00 3.58 -5.297547970e-01 -9.887586204e-01 -1.150301911e+00 3.60 -5.029741890e-01 -9.532711195e-01 -1.112468994e+00 3.62 -4.769044241e-01 -9.187635497e-01 -1.076042407e+00 3.64 -4.516475099e-01 -8.851577006e-01 -1.040944314e+00 3.66 -4.272986856e-01 -8.523823162e-01 -1.007101174e+00 3.68 -4.039366977e-01 -8.203755114e-01 -9.744440680e-01 3.70 -3.816159463e-01 -7.890871919e-01 -9.429087337e-01 3.72 -3.603617215e-01 -7.584813569e-01 -9.124353867e-01 3.74 -3.401691280e-01 -7.285380623e-01 -8.829684010e-01 3.76 -3.210055855e-01 -6.992547207e-01 -8.544559005e-01 3.78 -3.028162046e-01 -6.706463645e-01 -8.268493029e-01 3.80 -2.855309931e-01 -6.427445205e-01 -8.001028449e-01 3.82 -2.690727803e-01 -6.155944704e-01 -7.741731079e-01 3.84 -2.533648785e-01 -5.892509012e-01 -7.490185556e-01 3.86 -2.383377314e-01 -5.637722486e-01 -7.245990925e-01 3.88 -2.239340384e-01 -5.392143300e-01 -7.008756466e-01 3.90 -2.101120488e-01 -5.156240616e-01 -6.778097782e-01 3.92 -1.968468876e-01 -4.930340898e-01 -6.553633166e-01 3.94 -1.841299255e-01 -4.714590086e-01 -6.334980265e-01 3.96 -1.719663647e-01 -4.508935370e-01 -6.121753064e-01 3.98 -1.603713906e-01 -4.313126700e-01 -5.913559236e-01 4.00 -1.493654028e-01 -4.126735037e-01 -5.709997931e-01 4.02 -1.389689610e-01 -3.949182317e-01 -5.510658113e-01 4.04 -1.291981084e-01 -3.779777530e-01 -5.315117579e-01 4.06 -1.200606458e-01 -3.617753883e-01 -5.122942862e-01 4.08 -1.115537426e-01 -3.462303353e-01 -4.933690254e-01 4.10 -1.036630209e-01 -3.312606496e-01 -4.746908247e-01 4.12 -9.636301205e-02 -3.167856835e-01 -4.562141740e-01 4.14 -8.961869866e-02 -3.027280163e-01 -4.378938374e-01 4.16 -8.338776678e-02 -2.890149842e-01 -4.196857391e-01 4.18 -7.762318421e-02 -2.755799379e-01 -4.015481363e-01 4.20 -7.227578260e-02 -2.623633596e-01 -3.834431018e-01 4.22 -6.729661186e-02 -2.493139461e-01 -3.653383219e-01 4.24 -6.263894523e-02 -2.363897254e-01 -3.472091810e-01 4.26 -5.825973466e-02 -2.235592265e-01 -3.290410646e-01 4.28 -5.412064880e-02 -2.108026657e-01 -3.108317521e-01 4.30 -5.019001929e-02 -1.981130554e-01 -2.925937123e-01 4.32 -4.644222921e-02 -1.854970878e-01 -2.743560496e-01 4.34 -4.285786853e-02 -1.729756082e-01 -2.561658039e-01 4.36 -3.942367898e-02 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-4.162017947e-03 -1.796526591e-02 -2.687129594e-02 4.74 -3.557121731e-03 -1.536241681e-02 -2.298202930e-02 4.76 -3.035884956e-03 -1.311671620e-02 -1.962554201e-02 4.78 -2.588074023e-03 -1.118547177e-02 -1.673786215e-02 4.80 -2.204322610e-03 -9.529232953e-03 -1.426056795e-02 4.82 -1.876171260e-03 -8.112123090e-03 -1.214045943e-02 4.84 -1.596064438e-03 -6.901938255e-03 -1.032963975e-02 4.86 -1.357317128e-03 -5.870079875e-03 -8.785486958e-03 4.88 -1.154061231e-03 -4.991375309e-03 -7.470432087e-03 4.90 -9.811800056e-04 -4.243829817e-03 -6.351617257e-03 4.92 -8.342368270e-04 -3.608342399e-03 -5.400488604e-03 4.94 -7.094028385e-04 -3.068408992e-03 -4.592363225e-03 4.96 -6.033866573e-04 -2.609829229e-03 -3.905997018e-03 4.98 -5.133681588e-04 -2.220427267e-03 -3.323170867e-03 5.00 -4.369375201e-04 -1.889792966e-03 -2.828305607e-03 5.02 -3.720400823e-04 -1.609046603e-03 -2.408111234e-03 5.04 -3.169271530e-04 -1.370628210e-03 -2.051272362e-03 5.06 -2.701125872e-04 -1.168111178e-03 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-1.286795861e-06 -5.554341854e-06 -8.310583735e-06 5.80 -1.121399291e-06 -4.840276470e-06 -7.242153283e-06 5.82 -9.777805519e-07 -4.220256533e-06 -6.314443514e-06 5.84 -8.530033965e-07 -3.681598288e-06 -5.508475041e-06 5.86 -7.445367645e-07 -3.213368877e-06 -4.807888539e-06 5.88 -6.501975867e-07 -2.806139088e-06 -4.198574735e-06 5.90 -5.681018423e-07 -2.451771797e-06 -3.668357825e-06 5.92 -4.966226533e-07 -2.143240846e-06 -3.206724431e-06 5.94 -4.343543825e-07 -1.874475872e-06 -2.804591399e-06 5.96 -3.800818560e-07 -1.640229299e-06 -2.454106759e-06 5.98 -3.327539635e-07 -1.435962253e-06 -2.148479010e-06 6.00 -2.914609999e-07 -1.257746649e-06 -1.881830604e-06