# 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 = Ni3Ta # 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 1.788534388e+02 nan nan 1.16 1.630247902e+02 nan nan 1.18 1.485481355e+02 nan nan 1.20 1.353026861e+02 nan nan 1.22 1.231819357e+02 nan nan 1.24 1.120883934e+02 nan nan 1.26 1.019325033e+02 nan nan 1.28 9.263378947e+01 1.520754186e+02 1.773333392e+02 1.30 8.412058948e+01 1.395640015e+02 1.632118290e+02 1.32 7.632815400e+01 1.280366417e+02 1.501791323e+02 1.34 6.919683933e+01 1.174072631e+02 1.381499410e+02 1.36 6.267116402e+01 1.076024662e+02 1.270494291e+02 1.38 5.669928268e+01 9.856011373e+01 1.168088330e+02 1.40 5.123238615e+01 9.022583883e+01 1.073621091e+02 1.42 4.622424037e+01 8.254967233e+01 9.864449456e+01 1.44 4.163134807e+01 7.548363999e+01 9.059289588e+01 1.46 3.741382287e+01 6.898027425e+01 8.314761668e+01 1.48 3.353656743e+01 6.299214052e+01 7.625432403e+01 1.50 2.997004963e+01 5.747255428e+01 6.986524772e+01 1.52 2.669007791e+01 5.237728510e+01 6.393947254e+01 1.54 2.367664614e+01 4.766643005e+01 5.844253320e+01 1.56 2.091640513e+01 4.330541735e+01 5.334533457e+01 1.58 1.839457533e+01 3.926478890e+01 4.862257301e+01 1.60 1.609367294e+01 3.551934170e+01 4.425116805e+01 1.62 1.399588634e+01 3.204733673e+01 4.020910524e+01 1.64 1.208331183e+01 2.882991428e+01 3.647470745e+01 1.66 1.033843058e+01 2.585048188e+01 3.302618537e+01 1.68 8.744751765e+00 2.309416915e+01 2.984145513e+01 1.70 7.287436593e+00 2.055110930e+01 2.689838694e+01 1.72 5.953688807e+00 1.820905766e+01 2.417557495e+01 1.74 4.732802335e+00 1.605405926e+01 2.165452895e+01 1.76 3.615914075e+00 1.407254401e+01 1.932233020e+01 1.78 2.595604725e+00 1.225162009e+01 1.716440838e+01 1.80 1.665490100e+00 1.057938776e+01 1.516802200e+01 1.82 8.198874430e-01 9.045120242e+00 1.332209093e+01 1.84 5.357595840e-02 7.639240250e+00 1.161666700e+01 1.86 -6.383699985e-01 6.353071415e+00 1.004258408e+01 1.88 -1.260704062e+00 5.178464271e+00 8.591305730e+00 1.90 -1.818098897e+00 4.107451705e+00 7.254849397e+00 1.92 -2.315195622e+00 3.132054586e+00 6.025713819e+00 1.94 -2.756599813e+00 2.244274120e+00 4.896799088e+00 1.96 -3.146831595e+00 1.436234133e+00 3.861339976e+00 1.98 -3.490255747e+00 7.004002374e-01 2.912873035e+00 2.00 -3.791015910e+00 2.980108647e-02 2.045250533e+00 2.02 -4.052984249e+00 -5.818016623e-01 1.252701719e+00 2.04 -4.279732756e+00 -1.139819399e+00 5.299130685e-01 2.06 -4.474533714e+00 -1.648822196e+00 -1.279309409e-01 2.08 -4.640391765e+00 -2.112595981e+00 -7.251972342e-01 2.10 -4.780095452e+00 -2.534254427e+00 -1.265941320e+00 2.12 -4.896220539e+00 -2.916381467e+00 -1.754077327e+00 2.14 -4.991136614e+00 -3.261179373e+00 -2.193517098e+00 2.16 -5.067406340e+00 -3.570604118e+00 -2.588242547e+00 2.18 -5.127442701e+00 -3.846479466e+00 -2.942306598e+00 2.20 -5.173452349e+00 -4.090588061e+00 -3.259773030e+00 2.22 -5.207417046e+00 -4.304739958e+00 -3.544608695e+00 2.24 -5.230965480e+00 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-4.620604058e+00 -5.256153482e+00 -5.436784720e+00 2.62 -4.557453562e+00 -5.227678560e+00 -5.416604038e+00 2.64 -4.492157662e+00 -5.194647433e+00 -5.389888554e+00 2.66 -4.424789553e+00 -5.157395581e+00 -5.357465724e+00 2.68 -4.355453655e+00 -5.116291497e+00 -5.320094063e+00 2.70 -4.284280283e+00 -5.071738439e+00 -5.278461994e+00 2.72 -4.211418905e+00 -5.024165334e+00 -5.233194795e+00 2.74 -4.137030832e+00 -4.973927204e+00 -5.184864205e+00 2.76 -4.061282088e+00 -4.921321390e+00 -5.133994659e+00 2.78 -3.984337053e+00 -4.866551451e+00 -5.081063408e+00 2.80 -3.906353231e+00 -4.809660241e+00 -5.026496219e+00 2.82 -3.827477392e+00 -4.750699190e+00 -4.970636345e+00 2.84 -3.747843176e+00 -4.689728378e+00 -4.913541978e+00 2.86 -3.667570107e+00 -4.626805668e+00 -4.855146701e+00 2.88 -3.586763854e+00 -4.561983650e+00 -4.795398049e+00 2.90 -3.505517351e+00 -4.495311274e+00 -4.734255412e+00 2.92 -3.423912344e+00 -4.426837026e+00 -4.671689649e+00 2.94 -3.342020813e+00 -4.356611591e+00 -4.607684160e+00 2.96 -3.259905817e+00 -4.284689106e+00 -4.542236275e+00 2.98 -3.177621494e+00 -4.211127111e+00 -4.475358361e+00 3.00 -3.095212143e+00 -4.135985763e+00 -4.407078575e+00 3.02 -3.012710598e+00 -4.059327059e+00 -4.337441423e+00 3.04 -2.930136289e+00 -3.981214630e+00 -4.266508416e+00 3.06 -2.847493490e+00 -3.901714466e+00 -4.194359010e+00 3.08 -2.764770295e+00 -3.820896648e+00 -4.121091813e+00 3.10 -2.681938807e+00 -3.738837927e+00 -4.046825661e+00 3.12 -2.598956894e+00 -3.655624867e+00 -3.971699870e+00 3.14 -2.515771734e+00 -3.571357209e+00 -3.895872717e+00 3.16 -2.432325139e+00 -3.486151135e+00 -3.819517342e+00 3.18 -2.348560471e+00 -3.400142135e+00 -3.742814729e+00 3.20 -2.264430774e+00 -3.313487215e+00 -3.665944299e+00 3.22 -2.179907648e+00 -3.226366103e+00 -3.589073463e+00 3.24 -2.094990277e+00 -3.138981080e+00 -3.512348028e+00 3.26 -2.009714047e+00 -3.051555000e+00 -3.435885149e+00 3.28 -1.924158142e+00 -2.964327122e+00 -3.359769822e+00 3.30 -1.838451470e+00 -2.877546559e+00 -3.284054914e+00 3.32 -1.752776233e+00 -2.791463488e+00 -3.208763897e+00 3.34 -1.667368407e+00 -2.706318669e+00 -3.133895086e+00 3.36 -1.582514476e+00 -2.622332196e+00 -3.059426221e+00 3.38 -1.498543959e+00 -2.539692683e+00 -2.985318614e+00 3.40 -1.415817698e+00 -2.458548103e+00 -2.911520480e+00 3.42 -1.334712488e+00 -2.378999348e+00 -2.837969496e+00 3.44 -1.255603257e+00 -2.301097147e+00 -2.764594833e+00 3.46 -1.178844613e+00 -2.224842574e+00 -2.691319066e+00 3.48 -1.104753883e+00 -2.150190882e+00 -2.618060314e+00 3.50 -1.033597691e+00 -2.077058075e+00 -2.544734923e+00 3.52 -9.655836570e-01 -2.005329449e+00 -2.471260856e+00 3.54 -9.008579404e-01 -1.934869245e+00 -2.397561804e+00 3.56 -8.395083433e-01 -1.865530663e+00 -2.323571912e+00 3.58 -7.815717192e-01 -1.797165611e+00 -2.249240905e+00 3.60 -7.270437259e-01 -1.729633743e+00 -2.174539328e+00 3.62 -6.758886901e-01 -1.662810514e+00 -2.099463616e+00 3.64 -6.280476028e-01 -1.596594151e+00 -2.024040694e+00 3.66 -5.834429944e-01 -1.530911501e+00 -1.948331860e+00 3.68 -5.419804469e-01 -1.465722804e+00 -1.872435680e+00 3.70 -5.035475262e-01 -1.401025392e+00 -1.796489652e+00 3.72 -4.680116280e-01 -1.336856274e+00 -1.720670341e+00 3.74 -4.352184297e-01 -1.273293449e+00 -1.645191709e+00 3.76 -4.049923000e-01 -1.210455705e+00 -1.570301398e+00 3.78 -3.771393209e-01 -1.148500589e+00 -1.496274792e+00 3.80 -3.514528044e-01 -1.087620205e+00 -1.423406908e+00 3.82 -3.277205914e-01 -1.028034609e+00 -1.352002362e+00 3.84 -3.057331368e-01 -9.699827199e-01 -1.282363947e+00 3.86 -2.852913949e-01 -9.137110053e-01 -1.214780579e+00 3.88 -2.662137071e-01 -8.594605592e-01 -1.149515534e+00 3.90 -2.483411541e-01 -8.074535734e-01 -1.086795929e+00 3.92 -2.315410551e-01 -7.578804871e-01 -1.026804279e+00 3.94 -2.157084631e-01 -7.108891701e-01 -9.696727555e-01 3.96 -2.007656331e-01 -6.665773012e-01 -9.154804405e-01 3.98 -1.866595570e-01 -6.249886659e-01 -8.642535501e-01 4.00 -1.733578103e-01 -5.861135160e-01 -8.159683040e-01 4.02 -1.608431257e-01 -5.498925572e-01 -7.705559003e-01 4.04 -1.491072842e-01 -5.162236950e-01 -7.279089442e-01 4.06 -1.381450208e-01 -4.849704583e-01 -6.878886648e-01 4.08 -1.279486458e-01 -4.559710309e-01 -6.503323212e-01 4.10 -1.185039495e-01 -4.290470046e-01 -6.150603256e-01 4.12 -1.097877218e-01 -4.040112342e-01 -5.818827516e-01 4.14 -1.017669353e-01 -3.806744603e-01 -5.506050490e-01 4.16 -9.439938318e-02 -3.588506060e-01 -5.210329097e-01 4.18 -8.763538166e-02 -3.383608273e-01 -4.929763332e-01 4.20 -8.142012226e-02 -3.190365093e-01 -4.662530093e-01 4.22 -7.569624422e-02 -3.007214443e-01 -4.406911730e-01 4.24 -7.040628376e-02 -2.832734335e-01 -4.161320986e-01 4.26 -6.549481570e-02 -2.665655270e-01 -3.924323816e-01 4.28 -6.091002417e-02 -2.504870644e-01 -3.694661213e-01 4.30 -5.660528699e-02 -2.349446188e-01 -3.471270535e-01 4.32 -5.254042552e-02 -2.198628713e-01 -3.253306096e-01 4.34 -4.868171930e-02 -2.051853718e-01 -3.040157875e-01 4.36 -4.500226644e-02 -1.908750663e-01 -2.831466329e-01 4.38 -4.148204245e-02 -1.769144173e-01 -2.627130523e-01 4.40 -3.810767142e-02 -1.633049064e-01 -2.427306426e-01 4.42 -3.487192567e-02 -1.500657216e-01 -2.232392322e-01 4.44 -3.177296646e-02 -1.372314840e-01 -2.042999197e-01 4.46 -2.881334629e-02 -1.248489776e-01 -1.859905537e-01 4.48 -2.599881906e-02 -1.129729934e-01 -1.683998210e-01 4.50 -2.333703126e-02 -1.016615566e-01 -1.516203452e-01 4.52 -2.083617497e-02 -9.097094082e-02 -1.357414063e-01 4.54 -1.850336358e-02 -8.095095029e-02 -1.208420079e-01 4.56 -1.634448359e-02 -7.164094098e-02 -1.069850020e-01 4.58 -1.436313214e-02 -6.306695242e-02 -9.421284943e-02 4.60 -1.255990019e-02 -5.524016211e-02 -8.254534045e-02 4.62 -1.093226584e-02 -4.815668853e-02 -7.197932173e-02 4.64 -9.474774992e-03 -4.179859198e-02 -6.249020874e-02 4.66 -8.179440299e-03 -3.613547585e-02 -5.403486374e-02 4.68 -7.036276366e-03 -3.112752876e-02 -4.655533558e-02 4.70 -6.033891848e-03 -2.672836491e-02 -3.998297238e-02 4.72 -5.160071623e-03 -2.288713396e-02 -3.424245705e-02 4.74 -4.402300871e-03 -1.955053671e-02 -2.925506390e-02 4.76 -3.748202261e-03 -1.666600966e-02 -2.494210749e-02 4.78 -3.185874560e-03 -1.418281545e-02 -2.122814396e-02 4.80 -2.704133961e-03 -1.205284959e-02 -1.804146866e-02 4.82 -2.292667910e-03 -1.023147933e-02 -1.531585891e-02 4.84 -1.942115733e-03 -8.678011189e-03 -1.299078554e-02 4.86 -1.644091794e-03 -7.355871529e-03 -1.101173017e-02 4.88 -1.391166254e-03 -6.232575457e-03 -9.330198715e-03 4.90 -1.176816698e-03 -5.279550623e-03 -7.903495487e-03 4.92 -9.953615180e-04 -4.471869176e-03 -6.694345705e-03 4.94 -8.418835543e-04 -3.787928988e-03 -5.670432832e-03 4.96 -7.121502675e-04 -3.209114330e-03 -4.803899396e-03 4.98 -6.025348451e-04 -2.719457066e-03 -4.070845028e-03 5.00 -5.099411396e-04 -2.305312254e-03 -3.450843866e-03 5.02 -4.317341756e-04 -1.955056557e-03 -2.926494809e-03 5.04 -3.656771195e-04 -1.658813898e-03 -2.483011768e-03 5.06 -3.098750064e-04 -1.408210003e-03 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-1.229185067e-06 -6.195271143e-06 -9.267696095e-06 5.80 -1.066669161e-06 -5.397577194e-06 -8.074279528e-06 5.82 -9.261717348e-07 -4.705569666e-06 -7.038994684e-06 5.84 -8.046373580e-07 -4.104855032e-06 -6.140303319e-06 5.86 -6.994446233e-07 -3.583052707e-06 -5.359679619e-06 5.88 -6.083430734e-07 -3.129506280e-06 -4.681178004e-06 5.90 -5.293994986e-07 -2.735037190e-06 -4.091064466e-06 5.92 -4.609521823e-07 -2.391734464e-06 -3.577501893e-06 5.94 -4.015718937e-07 -2.092775113e-06 -3.130281271e-06 5.96 -3.500286108e-07 -1.832270610e-06 -2.740591925e-06 5.98 -3.052631130e-07 -1.605135576e-06 -2.400825000e-06 6.00 -2.663627166e-07 -1.406975372e-06 -2.104405247e-06