# 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 = Fe3Pt # 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 2.814526907e+02 nan nan 1.16 2.563408008e+02 nan nan 1.18 2.333991871e+02 nan nan 1.20 2.124152031e+02 nan nan 1.22 1.932118629e+02 nan nan 1.24 1.756421572e+02 nan nan 1.26 1.595753735e+02 nan nan 1.28 1.448862914e+02 2.387925199e+02 2.777817048e+02 1.30 1.314522426e+02 2.189274341e+02 2.554290816e+02 1.32 1.191547777e+02 2.006363301e+02 2.348574633e+02 1.34 1.078823295e+02 1.837992501e+02 2.159040531e+02 1.36 9.753313553e+01 1.683060649e+02 1.984173258e+02 1.38 8.801806178e+01 1.540499247e+02 1.822616836e+02 1.40 7.926197807e+01 1.409246552e+02 1.673214920e+02 1.42 7.120274028e+01 1.288270832e+02 1.535002022e+02 1.44 6.378835670e+01 1.176617629e+02 1.407144233e+02 1.46 5.697373435e+01 1.073450772e+02 1.288874841e+02 1.48 5.071784374e+01 9.780654701e+01 1.179465648e+02 1.50 4.498131086e+01 8.898675252e+01 1.078234112e+02 1.52 3.972474165e+01 8.083322718e+01 9.845608410e+01 1.54 3.496044754e+01 7.329664528e+01 8.978949906e+01 1.56 3.068595092e+01 6.632890601e+01 8.177399410e+01 1.58 2.684904692e+01 5.988311441e+01 7.436275603e+01 1.60 2.340375768e+01 5.391448284e+01 6.750984125e+01 1.62 2.030955399e+01 4.838137676e+01 6.116992333e+01 1.64 1.753064315e+01 4.324630100e+01 5.529946494e+01 1.66 1.503546064e+01 3.847670001e+01 4.985824619e+01 1.68 1.279622485e+01 3.409198023e+01 4.481035531e+01 1.70 1.078840242e+01 3.011576783e+01 4.012429802e+01 1.72 8.990032553e+00 2.651757724e+01 3.578333364e+01 1.74 7.380998064e+00 2.326857719e+01 3.181985676e+01 1.76 5.942453284e+00 2.034024964e+01 2.821169451e+01 1.78 4.656600593e+00 1.770404166e+01 2.492948136e+01 1.80 3.506827573e+00 1.533199385e+01 2.194580867e+01 1.82 2.478041079e+00 1.319770530e+01 1.923504071e+01 1.84 1.556981264e+00 1.127701134e+01 1.677328515e+01 1.86 7.323402459e-01 9.548162501e+00 1.453847479e+01 1.88 -5.384771856e-03 7.991647656e+00 1.251048032e+01 1.90 -6.642351855e-01 6.589908199e+00 1.067111740e+01 1.92 -1.251181113e+00 5.327109472e+00 9.003979753e+00 1.94 -1.772436085e+00 4.189005793e+00 7.494174949e+00 1.96 -2.233657683e+00 3.162855425e+00 6.128092595e+00 1.98 -2.640056768e+00 2.237331765e+00 4.893262506e+00 2.00 -2.996456469e+00 1.402405454e+00 3.778274741e+00 2.02 -3.307334935e+00 6.492067789e-01 2.772715394e+00 2.04 -3.576871662e+00 -3.010504296e-02 1.867098218e+00 2.06 -3.809002574e+00 -6.424505942e-01 1.052790108e+00 2.08 -4.007474916e+00 -1.193926193e+00 3.219266847e-01 2.10 -4.176027587e+00 -1.689905243e+00 -3.326874523e-01 2.12 -4.319879761e+00 -2.135150248e+00 -9.176896753e-01 2.14 -4.442119940e+00 -2.533922916e+00 -1.439263401e+00 2.16 -4.544937785e+00 -2.890075216e+00 -1.903209821e+00 2.18 -4.630255661e+00 -3.207113852e+00 -2.314968220e+00 2.20 -4.699673876e+00 -3.488242432e+00 -2.679587229e+00 2.22 -4.754486009e+00 -3.736390140e+00 -3.001675440e+00 2.24 -4.795740928e+00 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-4.024824551e+00 -4.788503085e+00 -4.830938744e+00 2.62 -3.927183503e+00 -4.739531146e+00 -4.817538227e+00 2.64 -3.824224919e+00 -4.686571085e+00 -4.798795178e+00 2.66 -3.716285339e+00 -4.630033339e+00 -4.775022462e+00 2.68 -3.603928036e+00 -4.570225623e+00 -4.746502242e+00 2.70 -3.487937269e+00 -4.507381749e+00 -4.713470055e+00 2.72 -3.369502031e+00 -4.441688675e+00 -4.676151509e+00 2.74 -3.250043422e+00 -4.373235469e+00 -4.634779371e+00 2.76 -3.130958921e+00 -4.301810489e+00 -4.589603852e+00 2.78 -3.013549490e+00 -4.227126702e+00 -4.540896515e+00 2.80 -2.898959136e+00 -4.148999889e+00 -4.488944997e+00 2.82 -2.788129731e+00 -4.067359467e+00 -4.434017826e+00 2.84 -2.681774137e+00 -3.982242291e+00 -4.376073425e+00 2.86 -2.580368399e+00 -3.893785897e+00 -4.314888182e+00 2.88 -2.484161881e+00 -3.802220442e+00 -4.250297604e+00 2.90 -2.393201923e+00 -3.707858814e+00 -4.182184918e+00 2.92 -2.307367646e+00 -3.611134509e+00 -4.110469618e+00 2.94 -2.226407183e+00 -3.512840972e+00 -4.035101966e+00 2.96 -2.149973882e+00 -3.413838240e+00 -3.956061108e+00 2.98 -2.077659339e+00 -3.314874471e+00 -3.873354367e+00 3.00 -2.009022605e+00 -3.216561103e+00 -3.787016070e+00 3.02 -1.943615686e+00 -3.119355038e+00 -3.697105620e+00 3.04 -1.881005242e+00 -3.023554075e+00 -3.603709325e+00 3.06 -1.820790121e+00 -2.929309120e+00 -3.507050273e+00 3.08 -1.762614306e+00 -2.836651950e+00 -3.407494157e+00 3.10 -1.706175186e+00 -2.745533289e+00 -3.305419428e+00 3.12 -1.651227529e+00 -2.655864113e+00 -3.201220042e+00 3.14 -1.597583936e+00 -2.567553784e+00 -3.095316604e+00 3.16 -1.545112652e+00 -2.480540634e+00 -2.988166583e+00 3.18 -1.493733549e+00 -2.394813009e+00 -2.880271918e+00 3.20 -1.443412821e+00 -2.310420436e+00 -2.772182223e+00 3.22 -1.394156689e+00 -2.227475666e+00 -2.664492031e+00 3.24 -1.346004232e+00 -2.146148837e+00 -2.557831110e+00 3.26 -1.299019408e+00 -2.066655303e+00 -2.452847879e+00 3.28 -1.253282446e+00 -1.989238879e+00 -2.350186994e+00 3.30 -1.208880922e+00 -1.914152521e+00 -2.250463301e+00 3.32 -1.165901024e+00 -1.841638563e+00 -2.154235052e+00 3.34 -1.124419671e+00 -1.771910615e+00 -2.061979510e+00 3.36 -1.084497989e+00 -1.705138909e+00 -1.974073722e+00 3.38 -1.046177019e+00 -1.641440339e+00 -1.890782383e+00 3.40 -1.009475461e+00 -1.580873720e+00 -1.812253638e+00 3.42 -9.743869526e-01 -1.523440083e+00 -1.738522597e+00 3.44 -9.408839936e-01 -1.469087219e+00 -1.669521495e+00 3.46 -9.089206311e-01 -1.417717313e+00 -1.605094861e+00 3.48 -8.784359472e-01 -1.369196376e+00 -1.545017819e+00 3.50 -8.493579946e-01 -1.323364264e+00 -1.489015601e+00 3.52 -8.216077115e-01 -1.280044317e+00 -1.436782553e+00 3.54 -7.951024645e-01 -1.239051908e+00 -1.387999180e+00 3.56 -7.697590182e-01 -1.200201551e+00 -1.342346359e+00 3.58 -7.454958485e-01 -1.163312387e+00 -1.299516211e+00 3.60 -7.222348072e-01 -1.128212142e+00 -1.259219671e+00 3.62 -6.999021990e-01 -1.094739683e+00 -1.221191097e+00 3.64 -6.784293658e-01 -1.062746436e+00 -1.185190471e+00 3.66 -6.577528797e-01 -1.032096878e+00 -1.151003785e+00 3.68 -6.378144427e-01 -1.002668383e+00 -1.118442171e+00 3.70 -6.185605796e-01 -9.743505667e-01 -1.087340258e+00 3.72 -5.999421950e-01 -9.470443235e-01 -1.057554084e+00 3.74 -5.819140484e-01 -9.206614668e-01 -1.028958846e+00 3.76 -5.644341905e-01 -8.951218959e-01 -1.001446647e+00 3.78 -5.474633869e-01 -8.703526769e-01 -9.749243604e-01 3.80 -5.309645519e-01 -8.462879847e-01 -9.493116162e-01 3.82 -5.149022036e-01 -8.228678104e-01 -9.245395394e-01 3.84 -4.992419486e-01 -8.000369054e-01 -9.005484496e-01 3.86 -4.839500038e-01 -7.777439322e-01 -8.772853767e-01 3.88 -4.689927582e-01 -7.559408111e-01 -8.547046715e-01 3.90 -4.543363815e-01 -7.345822635e-01 -8.327666779e-01 3.92 -4.399464874e-01 -7.136255626e-01 -8.114366579e-01 3.94 -4.257878616e-01 -6.930305135e-01 -7.906839383e-01 3.96 -4.118242684e-01 -6.727596603e-01 -7.704812138e-01 3.98 -3.980183597e-01 -6.527787605e-01 -7.508039746e-01 4.00 -3.843317093e-01 -6.330575093e-01 -7.316300243e-01 4.02 -3.707250061e-01 -6.135705060e-01 -7.129390733e-01 4.04 -3.571584452e-01 -5.942984171e-01 -6.947123920e-01 4.06 -3.435923581e-01 -5.752292535e-01 -6.769325125e-01 4.08 -3.299881255e-01 -5.563596328e-01 -6.595829697e-01 4.10 -3.163094102e-01 -5.376958508e-01 -6.426480749e-01 4.12 -3.025237345e-01 -5.192545752e-01 -6.261127156e-01 4.14 -2.886044008e-01 -5.010628867e-01 -6.099621750e-01 4.16 -2.745327144e-01 -4.831575598e-01 -5.941819696e-01 4.18 -2.603004151e-01 -4.655834095e-01 -5.787576978e-01 4.20 -2.459121539e-01 -4.483907414e-01 -5.636748997e-01 4.22 -2.313877826e-01 -4.316320598e-01 -5.489189236e-01 4.24 -2.167641541e-01 -4.153583371e-01 -5.344747980e-01 4.26 -2.020960967e-01 -3.996152484e-01 -5.203271079e-01 4.28 -1.874562283e-01 -3.844398040e-01 -5.064598754e-01 4.30 -1.729333510e-01 -3.698577558e-01 -4.928564433e-01 4.32 -1.586293101e-01 -3.558820249e-01 -4.794993643e-01 4.34 -1.446544062e-01 -3.425122306e-01 -4.663702960e-01 4.36 -1.311216795e-01 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-3.667394129e-06 -1.919284467e-04 -2.871019155e-04 5.80 -3.208578405e-06 -1.674622914e-04 -2.505012159e-04 5.82 -2.808644332e-06 -1.461952484e-04 -2.186865964e-04 5.84 -2.459844052e-06 -1.276989969e-04 -1.910172241e-04 5.86 -2.155474499e-06 -1.116037920e-04 -1.669399088e-04 5.88 -1.889733086e-06 -9.759031147e-05 -1.459769035e-04 5.90 -1.657593800e-06 -8.538265124e-05 -1.277154240e-04 5.92 -1.454700750e-06 -7.474230759e-05 -1.117986443e-04 5.94 -1.277276665e-06 -6.546300563e-05 -9.791795894e-05 5.96 -1.122044164e-06 -5.736625440e-05 -8.580633192e-05 5.98 -9.861579979e-07 -5.029752551e-05 -7.523257928e-05 6.00 -8.671467005e-07 -4.412296666e-05 -6.599645162e-05