# 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 = Fe3Ni # 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 2.000005095e+02 nan nan 1.16 1.804292445e+02 nan nan 1.18 1.627183290e+02 nan nan 1.20 1.466814772e+02 nan nan 1.22 1.321526282e+02 nan nan 1.24 1.189847504e+02 nan nan 1.26 1.070487717e+02 nan nan 1.28 9.623169193e+01 1.664470909e+02 1.972249689e+02 1.30 8.643324404e+01 1.513045266e+02 1.797652542e+02 1.32 7.756212613e+01 1.374741269e+02 1.637917333e+02 1.34 6.953343530e+01 1.248283600e+02 1.491779530e+02 1.36 6.226789555e+01 1.132576465e+02 1.358095956e+02 1.38 5.569229743e+01 1.026687013e+02 1.235821332e+02 1.40 4.974000045e+01 9.298078570e+01 1.123997629e+02 1.42 4.435077540e+01 8.412211511e+01 1.021743650e+02 1.44 3.947024490e+01 7.602750231e+01 9.282418056e+01 1.46 3.504947352e+01 6.863703187e+01 8.427277451e+01 1.48 3.104467553e+01 6.189522963e+01 7.644875763e+01 1.50 2.741713986e+01 5.575043321e+01 6.928627669e+01 1.52 2.413357766e+01 5.015435309e+01 6.272589477e+01 1.54 2.116493821e+01 4.506182277e+01 5.671518284e+01 1.56 1.848532301e+01 4.043059729e+01 5.120843858e+01 1.58 1.607092230e+01 3.622112302e+01 4.616555938e+01 1.60 1.389925456e+01 3.239636967e+01 4.155062618e+01 1.62 1.194880056e+01 2.892155989e+01 3.733072064e+01 1.64 1.019893295e+01 2.576456630e+01 3.347515033e+01 1.66 8.630007725e+00 2.289597424e+01 2.995483737e+01 1.68 7.223549416e+00 2.028865184e+01 2.674226767e+01 1.70 5.962469435e+00 1.791756800e+01 2.381192430e+01 1.72 4.831201220e+00 1.575973301e+01 2.114014748e+01 1.74 3.815674122e+00 1.379428217e+01 1.870533168e+01 1.76 2.903195465e+00 1.200263818e+01 1.648795320e+01 1.78 2.082379218e+00 1.036861871e+01 1.447033037e+01 1.80 1.343168799e+00 8.878365713e+00 1.263620957e+01 1.82 6.768807016e-01 7.520066496e+00 1.097034529e+01 1.84 7.617065268e-02 6.283534784e+00 9.458196377e+00 1.86 -4.651156265e-01 5.159757222e+00 8.085788485e+00 1.88 -9.521773386e-01 4.140494406e+00 6.839744171e+00 1.90 -1.389521192e+00 3.217984772e+00 5.707450654e+00 1.92 -1.781198639e+00 2.384756935e+00 4.677305047e+00 1.94 -2.130979716e+00 1.633531992e+00 3.738950123e+00 1.96 -2.442441456e+00 9.571959341e-01 2.883409872e+00 1.98 -2.718972278e+00 3.488296880e-01 2.103072233e+00 2.00 -2.963724871e+00 -1.982128095e-01 1.391533409e+00 2.02 -3.179568939e+00 -6.901923988e-01 7.433704337e-01 2.04 -3.369081888e+00 -1.132860537e+00 1.539126954e-01 2.06 -3.534580371e+00 -1.531353074e+00 -3.809512516e-01 2.08 -3.678169805e+00 -1.890131736e+00 -8.649288424e-01 2.10 -3.801787753e+00 -2.212990463e+00 -1.301446679e+00 2.12 -3.907230487e+00 -2.503123096e+00 -1.693741932e+00 2.14 -3.996163584e+00 -2.763231432e+00 -2.044920817e+00 2.16 -4.070121497e+00 -2.995646426e+00 -2.357989196e+00 2.18 -4.130512344e+00 -3.202439798e+00 -2.635865766e+00 2.20 -4.178617073e+00 -3.385512664e+00 -2.881387507e+00 2.22 -4.215589371e+00 -3.546656460e+00 -3.097311580e+00 2.24 -4.242454986e+00 -3.687587532e+00 -3.286312358e+00 2.26 -4.259996939e+00 -3.809960697e+00 -3.450970373e+00 2.28 -4.268693862e+00 -3.915369379e+00 -3.593752361e+00 2.30 -4.268959709e+00 -4.005339519e+00 -3.716985612e+00 2.32 -4.261200942e+00 -4.081320786e+00 -3.822831705e+00 2.34 -4.245818961e+00 -4.144673069e+00 -3.913263745e+00 2.36 -4.223217296e+00 -4.196645379e+00 -3.990049466e+00 2.38 -4.193802029e+00 -4.238357564e+00 -4.054742596e+00 2.40 -4.157611178e+00 -4.270782402e+00 -4.108682198e+00 2.42 -4.114252104e+00 -4.294742226e+00 -4.153005810e+00 2.44 -4.063483097e+00 -4.310925553e+00 -4.188675734e+00 2.46 -4.005224487e+00 -4.319896767e+00 -4.216509826e+00 2.48 -3.939526977e+00 -4.321948468e+00 -4.237216539e+00 2.50 -3.866546462e+00 -4.317300502e+00 -4.251429934e+00 2.52 -3.786525846e+00 -4.306215820e+00 -4.259729290e+00 2.54 -3.699785323e+00 -4.288999267e+00 -4.262512449e+00 2.56 -3.606722436e+00 -4.265990023e+00 -4.260136344e+00 2.58 -3.507820946e+00 -4.237544764e+00 -4.253011612e+00 2.60 -3.403664088e+00 -4.203809275e+00 -4.241579222e+00 2.62 -3.294945379e+00 -4.164588966e+00 -4.226279432e+00 2.64 -3.182470209e+00 -4.119713759e+00 -4.207519932e+00 2.66 -3.067143521e+00 -4.069122262e+00 -4.185565988e+00 2.68 -2.949941805e+00 -4.012845306e+00 -4.160205733e+00 2.70 -2.831870653e+00 -3.950996941e+00 -4.131151458e+00 2.72 -2.713912462e+00 -3.883771073e+00 -4.098188223e+00 2.74 -2.596971932e+00 -3.811440059e+00 -4.061154428e+00 2.76 -2.481828782e+00 -3.734351796e+00 -4.019928778e+00 2.78 -2.369106287e+00 -3.652923044e+00 -3.974421960e+00 2.80 -2.259260817e+00 -3.567628455e+00 -3.924571789e+00 2.82 -2.152592626e+00 -3.478986067e+00 -3.870341060e+00 2.84 -2.049273493e+00 -3.387540323e+00 -3.811717309e+00 2.86 -1.949383822e+00 -3.293843280e+00 -3.748713677e+00 2.88 -1.852950958e+00 -3.198434447e+00 -3.681369873e+00 2.90 -1.759981633e+00 -3.101820057e+00 -3.609752357e+00 2.92 -1.670483807e+00 -3.004453476e+00 -3.533953050e+00 2.94 -1.584476117e+00 -2.906719081e+00 -3.454086336e+00 2.96 -1.501985908e+00 -2.808921842e+00 -3.370284614e+00 2.98 -1.423039008e+00 -2.711283984e+00 -3.282693159e+00 3.00 -1.347645593e+00 -2.613948912e+00 -3.191465398e+00 3.02 -1.275786597e+00 -2.516991472e+00 -3.096759861e+00 3.04 -1.207404214e+00 -2.420432992e+00 -2.998739987e+00 3.06 -1.142398549e+00 -2.324259381e+00 -2.897577670e+00 3.08 -1.080630785e+00 -2.228440730e+00 -2.793460919e+00 3.10 -1.021931832e+00 -2.132951207e+00 -2.686605385e+00 3.12 -9.661145919e-01 -2.037788245e+00 -2.577268803e+00 3.14 -9.129876508e-01 -1.942990152e+00 -2.465766738e+00 3.16 -8.623684048e-01 -1.848651196e+00 -2.352487467e+00 3.18 -8.140940566e-01 -1.754933078e+00 -2.237903633e+00 3.20 -7.680294360e-01 -1.662071535e+00 -2.122578349e+00 3.22 -7.240711205e-01 -1.570376870e+00 -2.007163850e+00 3.24 -6.821477735e-01 -1.480227460e+00 -1.892391412e+00 3.26 -6.422170089e-01 -1.392055915e+00 -1.779052148e+00 3.28 -6.042594183e-01 -1.306328451e+00 -1.667969268e+00 3.30 -5.682706583e-01 -1.223519086e+00 -1.559963588e+00 3.32 -5.342526579e-01 -1.144081212e+00 -1.455815281e+00 3.34 -5.022050397e-01 -1.068419695e+00 -1.356225787e+00 3.36 -4.721177429e-01 -9.968666919e-01 -1.261784154e+00 3.38 -4.439654524e-01 -9.296638651e-01 -1.172941645e+00 3.40 -4.177044812e-01 -8.669526112e-01 -1.089997241e+00 3.42 -3.932725607e-01 -8.087726941e-01 -1.013094979e+00 3.44 -3.705893417e-01 -7.550684689e-01 -9.422323329e-01 3.46 -3.495591928e-01 -7.057010031e-01 -8.772774394e-01 3.48 -3.300749200e-01 -6.604639478e-01 -8.179921991e-01 3.50 -3.120217956e-01 -6.191009909e-01 -7.640580860e-01 3.52 -2.952814414e-01 -5.813230356e-01 -7.151018869e-01 3.54 -2.797352434e-01 -5.468237433e-01 -6.707192586e-01 3.56 -2.652671126e-01 -5.152926254e-01 -6.304947771e-01 3.58 -2.517655303e-01 -4.864253540e-01 -5.940178781e-01 3.60 -2.391249089e-01 -4.599313419e-01 -5.608946621e-01 3.62 -2.272463559e-01 -4.355388880e-01 -5.307559247e-01 3.64 -2.160379638e-01 -4.129983160e-01 -5.032619847e-01 3.66 -2.054147562e-01 -3.920835794e-01 -4.781049645e-01 3.68 -1.952984177e-01 -3.725927724e-01 -4.550091538e-01 3.70 -1.856169251e-01 -3.543479362e-01 -4.337300245e-01 3.72 -1.763041852e-01 -3.371944497e-01 -4.140523568e-01 3.74 -1.672997676e-01 -3.209999657e-01 -3.957878468e-01 3.76 -1.585488111e-01 -3.056539913e-01 -3.787724675e-01 3.78 -1.500021644e-01 -2.910666867e-01 -3.628636489e-01 3.80 -1.416168049e-01 -2.771672998e-01 -3.479377656e-01 3.82 -1.333565515e-01 -2.639026473e-01 -3.338880864e-01 3.84 -1.251930534e-01 -2.512351045e-01 -3.206219785e-01 3.86 -1.171069859e-01 -2.391400398e-01 -3.080589258e-01 3.88 -1.090893218e-01 -2.276027228e-01 -2.961287618e-01 3.90 -1.011424842e-01 -2.166148616e-01 -2.847700952e-01 3.92 -9.328112339e-02 -2.061710495e-01 -2.739289248e-01 3.94 -8.553223284e-02 -1.962654728e-01 -2.635574308e-01 3.96 -7.793433788e-02 -1.868892220e-01 -2.536129277e-01 3.98 -7.053558237e-02 -1.780284588e-01 -2.440569613e-01 4.00 -6.339069857e-02 -1.696635394e-01 -2.348545339e-01 4.02 -5.655705607e-02 -1.617690256e-01 -2.259734435e-01 4.04 -5.009019579e-02 -1.543144091e-01 -2.173837243e-01 4.06 -4.403940544e-02 -1.472652782e-01 -2.090571804e-01 4.08 -3.844391134e-02 -1.405842198e-01 -2.009670061e-01 4.10 -3.333019549e-02 -1.342332233e-01 -1.930874902e-01 4.12 -2.871071229e-02 -1.281745166e-01 -1.853938049e-01 4.14 -2.458398298e-02 -1.223710142e-01 -1.778618840e-01 4.16 -2.093475488e-02 -1.167871629e-01 -1.704683971e-01 4.18 -1.773924405e-02 -1.113895362e-01 -1.631908298e-01 4.20 -1.496643040e-02 -1.061472512e-01 -1.560076826e-01 4.22 -1.257984311e-02 -1.010322812e-01 -1.488987978e-01 4.24 -1.054026787e-02 -9.601972837e-02 -1.418458250e-01 4.26 -8.807981399e-03 -9.108810806e-02 -1.348328265e-01 4.28 -7.344446727e-03 -8.621967395e-02 -1.278470142e-01 4.30 -6.113485945e-03 -8.140079417e-02 -1.208795913e-01 4.32 -5.081997792e-03 -7.662236415e-02 -1.139266532e-01 4.34 -4.220310211e-03 -7.188021818e-02 -1.069900726e-01 4.36 -3.502260569e-03 -6.717547930e-02 -1.000782697e-01 4.38 -2.905087498e-03 -6.251476913e-02 -9.320674547e-02 4.40 -2.409203419e-03 -5.791019074e-02 -8.639824682e-02 4.42 -1.997901170e-03 -5.337900318e-02 -7.968244230e-02 4.44 -1.657033144e-03 -4.894292971e-02 -7.309502381e-02 4.46 -1.374689379e-03 -4.462708384e-02 -6.667621284e-02 4.48 -1.140891201e-03 -4.045855289e-02 -6.046873386e-02 4.50 -9.473098905e-04 -3.646473924e-02 -5.451540769e-02 4.52 -7.870149554e-04 -3.267161068e-02 -4.885659438e-02 4.54 -6.542531896e-04 -2.910204070e-02 -4.352775928e-02 4.56 -5.442574603e-04 -2.577440715e-02 -3.855741677e-02 4.58 -4.530832045e-04 -2.270160416e-02 -3.396568559e-02 4.60 -3.774697883e-04 -1.989053729e-02 -2.976356242e-02 4.62 -3.147237919e-04 -1.734211121e-02 -2.595292861e-02 4.64 -2.626212766e-04 -1.505124790e-02 -2.252660106e-02 4.66 -2.193263193e-04 -1.300811810e-02 -1.947018554e-02 4.68 -1.833233378e-04 -1.119996334e-02 -1.676483629e-02 4.70 -1.533610162e-04 -9.610970232e-03 -1.438707424e-02 4.72 -1.284059409e-04 -8.223361121e-03 -1.231043138e-02 4.74 -1.076043291e-04 -7.018388686e-03 -1.050695034e-02 4.76 -9.025047187e-05 -5.977160955e-03 -8.948428116e-03 4.78 -7.576073112e-05 -5.081280906e-03 -7.607380659e-03 4.80 -6.365212905e-05 -4.313306848e-03 -6.457737613e-03 4.82 -5.352472289e-05 -3.657053815e-03 -5.475297764e-03 4.84 -4.504709545e-05 -3.097762837e-03 -4.637985861e-03 4.86 -3.794441055e-05 -2.622167096e-03 -3.925954062e-03 4.88 -3.198857871e-05 -2.218481820e-03 -3.321568694e-03 4.90 -2.699015699e-05 -1.876341487e-03 -2.809317597e-03 4.92 -2.279167372e-05 -1.586703466e-03 -2.375666862e-03 4.94 -1.926212564e-05 -1.341732954e-03 -2.008889281e-03 4.96 -1.629243893e-05 -1.134680160e-03 -1.698880996e-03 4.98 -1.379172231e-05 -9.597574641e-04 -1.436977938e-03 5.00 -1.168417231e-05 -8.120216196e-04 -1.215779728e-03 5.02 -9.906515565e-06 -6.872641347e-04 -1.028985730e-03 5.04 -8.405893179e-06 -5.819114791e-04 -8.712457646e-04 5.06 -7.138109263e-06 -4.929357516e-04 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