# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2021--Arora-G-Bonny-G-Castin-N-Aidhy-D-S--Fe-Ni-Cr-Pd # implementation = 2021--Arora-G--Fe-Ni-Cr-Pd--LAMMPS--ipr1 # composition = Ni # 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 2024-11-27 r A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan 1.973471624e+03 nan 0.72 nan nan nan nan nan nan nan nan 1.749088250e+03 nan 0.74 nan nan nan nan nan nan nan nan 1.553462820e+03 nan 0.76 nan nan nan nan nan 1.226833321e+03 nan nan 1.382417484e+03 nan 0.78 nan nan nan nan nan 1.094212036e+03 nan nan 1.232361772e+03 nan 0.80 nan nan nan nan nan 9.774229720e+02 nan nan 1.100267465e+03 nan 0.82 nan nan nan nan nan 8.744138139e+02 nan nan 9.837232115e+02 nan 0.84 nan nan nan nan nan 7.833547733e+02 nan nan 8.807468038e+02 nan 0.86 nan nan nan 1.904085843e+03 1.904259469e+03 7.026710514e+02 nan nan 7.896302084e+02 1.191074208e+03 0.88 nan 1.026792622e+03 nan 1.720791474e+03 1.720997053e+03 6.310757990e+02 nan nan 7.088655287e+02 1.073225539e+03 0.90 nan 9.257378015e+02 nan 1.557334264e+03 1.557506536e+03 5.674336642e+02 9.697222667e+02 nan 6.371683730e+02 9.681352865e+02 0.92 nan 8.358204232e+02 nan 1.411330900e+03 1.411426926e+03 5.107706173e+02 8.756136833e+02 nan 5.734013890e+02 8.743187008e+02 0.94 nan 7.555068697e+02 nan 1.280648759e+03 1.280667053e+03 4.602676727e+02 7.916253134e+02 nan 5.165417581e+02 7.904258154e+02 0.96 nan 6.835900335e+02 nan 1.163407184e+03 1.163382120e+03 4.152190251e+02 7.165240742e+02 nan 4.657144326e+02 7.152590622e+02 0.98 1.058147575e+03 6.191125374e+02 9.288285938e+02 1.058086783e+03 1.058043885e+03 3.749907081e+02 6.492058059e+02 9.663434397e+02 4.202036042e+02 6.478699227e+02 1.00 9.634325111e+02 5.612548110e+02 8.452698873e+02 9.633906129e+02 9.633463799e+02 3.390237677e+02 5.887432359e+02 8.792456935e+02 3.794079842e+02 5.874171617e+02 1.02 8.781931421e+02 5.092434367e+02 7.700631468e+02 8.781732692e+02 8.781414623e+02 3.068433319e+02 5.343529473e+02 8.009279027e+02 3.427990787e+02 5.331361303e+02 1.04 8.014048050e+02 4.623841721e+02 7.022789730e+02 8.014087730e+02 8.013994080e+02 2.780275587e+02 4.853929037e+02 7.304284825e+02 3.099045546e+02 4.843293522e+02 1.06 7.321493456e+02 4.200749800e+02 6.410766902e+02 7.321777734e+02 7.321982042e+02 2.521922385e+02 4.412946160e+02 6.669091769e+02 2.803214405e+02 4.403908959e+02 1.08 6.696288872e+02 3.817960264e+02 5.857093240e+02 6.696781400e+02 6.697283263e+02 2.289877286e+02 4.015217211e+02 6.096211022e+02 2.536907983e+02 4.007959668e+02 1.10 6.131452690e+02 3.471003173e+02 5.355173287e+02 6.132040483e+02 6.132705002e+02 2.080927976e+02 3.655844270e+02 5.578513744e+02 2.296904841e+02 3.650799901e+02 1.12 5.620348762e+02 3.155978224e+02 4.899210052e+02 5.620877150e+02 5.621495803e+02 1.892332006e+02 3.330520793e+02 5.109371041e+02 2.080391495e+02 3.328047160e+02 1.14 5.156273342e+02 2.869402601e+02 4.484232376e+02 5.156687854e+02 5.157161875e+02 1.721834468e+02 3.035238262e+02 4.682862222e+02 1.884723073e+02 3.035393147e+02 1.16 4.733688207e+02 2.608547632e+02 4.105915237e+02 4.733947397e+02 4.734213844e+02 1.567497899e+02 2.766483164e+02 4.293999669e+02 1.707610283e+02 2.769406400e+02 1.18 4.347884513e+02 2.371022591e+02 3.760643459e+02 4.347954783e+02 4.347987216e+02 1.427680919e+02 2.521429151e+02 3.938413148e+02 1.547108558e+02 2.527199691e+02 1.20 3.994689001e+02 2.154704130e+02 3.445296298e+02 3.994575418e+02 3.994401941e+02 1.300965737e+02 2.297653504e+02 3.612400085e+02 1.401553828e+02 2.306184698e+02 1.22 3.670307740e+02 1.957670110e+02 3.157074374e+02 3.670094235e+02 3.669817012e+02 1.186077539e+02 2.093133643e+02 3.312819589e+02 1.269502359e+02 2.104066241e+02 1.24 3.371661924e+02 1.778176400e+02 2.893374599e+02 3.371478487e+02 3.371240101e+02 1.081806635e+02 1.906199932e+02 3.037318558e+02 1.149656541e+02 1.918961890e+02 1.26 3.096543035e+02 1.614644359e+02 2.651804865e+02 3.096477869e+02 3.096384521e+02 9.869966727e+01 1.735343833e+02 2.783973920e+02 1.040832799e+02 1.749360652e+02 1.28 2.843095442e+02 1.465600012e+02 2.430175540e+02 2.843175247e+02 2.843274840e+02 9.005318967e+01 1.579152976e+02 2.551127670e+02 9.419261770e+01 1.593957679e+02 1.30 2.609744882e+02 1.329680559e+02 2.226408536e+02 2.609935805e+02 2.610200877e+02 8.213424463e+01 1.436325663e+02 2.337219199e+02 8.519163429e+01 1.451632498e+02 1.32 2.394969135e+02 1.205636525e+02 2.038778150e+02 2.395223611e+02 2.395580628e+02 7.486461056e+01 1.305751212e+02 2.140764756e+02 7.699591023e+01 1.321357384e+02 1.34 2.197349223e+02 1.092329702e+02 1.866012074e+02 2.197644517e+02 2.198027714e+02 6.819546848e+01 1.186435892e+02 1.960395508e+02 6.953501863e+01 1.202196777e+02 1.36 2.015629337e+02 9.887320561e+01 1.707027572e+02 2.015942479e+02 2.016303810e+02 6.208637679e+01 1.077440133e+02 1.794840026e+02 6.274383907e+01 1.093330455e+02 1.38 1.848595010e+02 8.939749073e+01 1.560791436e+02 1.848908421e+02 1.849216764e+02 5.649797409e+01 9.778791382e+01 1.642868067e+02 5.656128996e+01 9.939806400e+01 1.40 1.695082376e+02 8.072653084e+01 1.426315695e+02 1.695376895e+02 1.695614333e+02 5.139037774e+01 8.869274697e+01 1.503292373e+02 5.092828457e+01 9.033887635e+01 1.42 1.553968921e+02 7.279148320e+01 1.302700109e+02 1.554229581e+02 1.554394109e+02 4.672593843e+01 8.038062409e+01 1.375016807e+02 4.579039845e+01 8.207906760e+01 1.44 1.424159139e+02 6.553188943e+01 1.189108486e+02 1.424379844e+02 1.424487834e+02 4.246871775e+01 7.277711232e+01 1.257048854e+02 4.110664417e+01 7.454198162e+01 1.46 1.304610180e+02 5.889141644e+01 1.084741966e+02 1.304788430e+02 1.304870420e+02 3.858282666e+01 6.581675092e+01 1.148525996e+02 3.684278032e+01 6.765330740e+01 1.48 1.194434428e+02 5.281896110e+01 9.888511544e+01 1.194569167e+02 1.194651922e+02 3.503386509e+01 5.944873719e+01 1.048676221e+02 3.296535034e+01 6.134460853e+01 1.50 1.092830190e+02 4.726860195e+01 9.007399914e+01 1.092924504e+02 1.093022761e+02 3.178902954e+01 5.362628454e+01 9.567627885e+01 2.944251076e+01 5.555226034e+01 1.52 9.991238982e+01 4.219878006e+01 8.197476552e+01 9.991816634e+01 9.992931038e+01 2.881656987e+01 4.830513886e+01 8.721455437e+01 2.624393643e+01 5.023160760e+01 1.54 9.127246650e+01 3.757104844e+01 7.452299358e+01 9.127440997e+01 9.128497943e+01 2.608560577e+01 4.344238265e+01 7.942569265e+01 2.334059872e+01 4.534943677e+01 1.56 8.330752374e+01 3.334992059e+01 6.766104586e+01 8.330523250e+01 8.331281629e+01 2.357041386e+01 3.899959920e+01 7.225619004e+01 2.070632068e+01 4.087448898e+01 1.58 7.596484579e+01 2.950263947e+01 6.134239040e+01 7.595877525e+01 7.596188889e+01 2.125294450e+01 3.494241808e+01 6.565548954e+01 1.831900143e+01 3.677691250e+01 1.60 6.919451202e+01 2.599930199e+01 5.552515321e+01 6.918613280e+01 6.918438441e+01 1.911708181e+01 3.123828216e+01 5.957672059e+01 1.615768522e+01 3.302738415e+01 1.62 6.295123048e+01 2.281340125e+01 5.017178900e+01 6.294217049e+01 6.293596782e+01 1.714826614e+01 2.785666797e+01 5.397731516e+01 1.420207823e+01 2.959890645e+01 1.64 5.719319474e+01 1.992002825e+01 4.524753752e+01 5.718465893e+01 5.717501445e+01 1.533290468e+01 2.476865117e+01 4.881797798e+01 1.243216822e+01 2.646631081e+01 1.66 5.188161251e+01 1.729550089e+01 4.072005140e+01 5.187407368e+01 5.186237748e+01 1.365839828e+01 2.194677493e+01 4.406225219e+01 1.082851026e+01 2.360570277e+01 1.68 4.697994621e+01 1.491722206e+01 3.655914463e+01 4.697399194e+01 4.696196844e+01 1.211308071e+01 1.936510817e+01 3.967661588e+01 9.372425092e+00 2.099392937e+01 1.70 4.245439575e+01 1.276315933e+01 3.273705150e+01 4.245059414e+01 4.243996639e+01 1.068659452e+01 1.700006475e+01 3.563112913e+01 8.047277855e+00 1.860937030e+01 1.72 3.827439940e+01 1.081128043e+01 2.922860102e+01 3.827295491e+01 3.826509843e+01 9.370325659e+00 1.483292833e+01 3.190010998e+01 6.839536338e+00 1.643231387e+01 1.74 3.441362386e+01 9.042497986e+00 2.601019452e+01 3.441420947e+01 3.440993877e+01 8.156554321e+00 1.284967818e+01 2.846035736e+01 5.738779295e+00 1.444466988e+01 1.76 3.084700913e+01 7.443296461e+00 2.305880571e+01 3.084927700e+01 3.084907564e+01 7.037921756e+00 1.103938855e+01 2.529031052e+01 4.736624775e+00 1.262821954e+01 1.78 2.755093254e+01 6.001369546e+00 2.035198503e+01 2.755498830e+01 2.755912141e+01 6.007464068e+00 9.391658706e+00 2.237028281e+01 3.825110605e+00 1.096547617e+01 1.80 2.450546130e+01 4.705243591e+00 1.786814815e+01 2.451199087e+01 2.452049935e+01 5.058784666e+00 7.896298832e+00 1.968398455e+01 2.997072021e+00 9.443705980e+00 1.82 2.169493161e+01 3.543616986e+00 1.558656204e+01 2.170457294e+01 2.171711774e+01 4.186095837e+00 6.543400455e+00 1.721792655e+01 2.246057260e+00 8.053778085e+00 1.84 1.910615125e+01 2.505180926e+00 1.348946858e+01 1.911889261e+01 1.913469876e+01 3.384881593e+00 5.323525300e+00 1.495971901e+01 1.566264559e+00 6.787236291e+00 1.86 1.672688731e+01 1.578440805e+00 1.156512223e+01 1.674222515e+01 1.676027579e+01 2.651011447e+00 4.227177227e+00 1.289761892e+01 9.526063626e-01 5.635952191e+00 1.88 1.454559770e+01 7.516610623e-01 9.803626652e+00 1.456276628e+01 1.458203318e+01 1.980184048e+00 3.244930334e+00 1.102026585e+01 4.003767536e-01 4.591982885e+00 1.90 1.255133033e+01 1.445647045e-02 8.195713771e+00 1.256936212e+01 1.258882398e+01 1.368375902e+00 2.367747681e+00 9.316361234e+00 -9.495693445e-02 3.647671126e+00 1.92 1.073355177e+01 -6.394193329e-01 6.733179574e+00 1.075147009e+01 1.077011274e+01 8.120990885e-01 1.586879451e+00 7.774528635e+00 -5.378010900e-01 2.795571552e+00 1.94 9.081951005e+00 -1.215613847e+00 5.408172584e+00 9.098767253e+00 9.115594375e+00 3.080713858e-01 8.935514191e-01 6.383472523e+00 -9.325474014e-01 2.028377693e+00 1.96 7.586280285e+00 -1.720218774e+00 4.212744265e+00 7.600909826e+00 7.614994492e+00 -1.469343121e-01 2.789771492e-01 5.131481313e+00 -1.283604522e+00 1.339221627e+00 1.98 6.236153013e+00 -2.159497444e+00 3.138912187e+00 6.247478072e+00 6.258013616e+00 -5.561218869e-01 -2.656339810e-01 4.006343061e+00 -1.595396558e+00 7.218238806e-01 2.00 5.020271410e+00 -2.539716256e+00 2.178646676e+00 5.027462643e+00 5.033876641e+00 -9.226951306e-01 -7.487853699e-01 2.995550859e+00 -1.872029724e+00 1.699293662e-01 2.02 3.927017159e+00 -2.867152254e+00 1.323746213e+00 3.929706049e+00 3.931792755e+00 -1.249895744e+00 -1.177588102e+00 2.086430515e+00 -2.117326672e+00 -3.227684869e-01 2.04 2.944558261e+00 -3.148046996e+00 5.650877381e-01 2.942748310e+00 2.940578045e+00 -1.541205248e+00 -1.557688484e+00 1.266273440e+00 -2.335218652e+00 -7.626453408e-01 2.06 2.060831007e+00 -3.388188358e+00 -1.070418780e-01 2.054789731e+00 2.048599145e+00 -1.800235287e+00 -1.894182128e+00 5.239421906e-01 -2.529090826e+00 -1.156150069e+00 2.08 1.263545260e+00 -3.591932818e+00 -7.025068797e-01 1.253774700e+00 1.243965826e+00 -2.030561055e+00 -2.192213894e+00 -1.474280986e-01 -2.701647050e+00 -1.509796942e+00 2.10 5.402537274e-01 -3.763111829e+00 -1.231562990e+00 5.273974570e-01 5.145382521e-01 -2.235853813e+00 -2.456820339e+00 -7.540782544e-01 -2.855544976e+00 -1.830063447e+00 2.12 -1.198166944e-01 -3.905236148e+00 -1.703603090e+00 -1.349915089e-01 -1.501663234e-01 -2.419330990e+00 -2.692515316e+00 -1.301645805e+00 -2.993060028e+00 -2.122137618e+00 2.14 -7.210865393e-01 -4.021025639e+00 -2.124002539e+00 -7.377274304e-01 -7.543683215e-01 -2.582377544e+00 -2.901852856e+00 -1.793426939e+00 -3.115060560e+00 -2.387995992e+00 2.16 -1.266015073e+00 -4.112946336e+00 -2.497120784e+00 -1.283290043e+00 -1.300565013e+00 -2.725921674e+00 -3.086884580e+00 -2.232046471e+00 -3.222145910e+00 -2.628681930e+00 2.18 -1.756959167e+00 -4.183494191e+00 -2.827162277e+00 -1.774079991e+00 -1.791200815e+00 -2.850887560e+00 -3.249533077e+00 -2.620182080e+00 -3.314907365e+00 -2.845174353e+00 2.20 -2.196257655e+00 -4.235152553e+00 -3.117144596e+00 -2.212516768e+00 -2.228775882e+00 -2.958195044e+00 -3.391531572e+00 -2.960504698e+00 -3.393971345e+00 -3.038438958e+00 2.22 -2.586241675e+00 -4.270397456e+00 -3.369469964e+00 -2.601090787e+00 -2.615939898e+00 -3.048759301e+00 -3.514429343e+00 -3.255845902e+00 -3.459962073e+00 -3.209433135e+00 2.24 -2.929369240e+00 -4.291768550e+00 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