# 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 = Fe3Mg # 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 3.106755990e+02 nan nan 1.16 2.820405226e+02 nan nan 1.18 2.560395655e+02 nan nan 1.20 2.324169737e+02 nan nan 1.22 2.109434940e+02 nan nan 1.24 1.914148780e+02 nan nan 1.26 1.736501045e+02 nan nan 1.28 1.574885531e+02 2.618524427e+02 3.063154269e+02 1.30 1.427865193e+02 2.395383314e+02 2.808410387e+02 1.32 1.294140033e+02 2.190980922e+02 2.574689749e+02 1.34 1.172523578e+02 2.003596911e+02 2.360212896e+02 1.36 1.061927699e+02 1.831717512e+02 2.163371360e+02 1.38 9.613524539e+01 1.674015176e+02 1.982700904e+02 1.40 8.698786897e+01 1.529315519e+02 1.816864546e+02 1.42 7.866629902e+01 1.396564643e+02 1.664636622e+02 1.44 7.109351254e+01 1.274805417e+02 1.524885625e+02 1.46 6.419969901e+01 1.163163292e+02 1.396560230e+02 1.48 5.792189465e+01 1.060837140e+02 1.278683586e+02 1.50 5.220432442e+01 9.670906611e+01 1.170356243e+02 1.52 4.699800016e+01 8.812432493e+01 1.070762102e+02 1.54 4.225961583e+01 8.026618941e+01 9.791702418e+01 1.56 3.795027844e+01 7.307558487e+01 8.949294391e+01 1.58 3.403444086e+01 6.649740489e+01 8.174569864e+01 1.60 3.047909199e+01 6.048022363e+01 7.462257619e+01 1.62 2.725327885e+01 5.497613845e+01 6.807529818e+01 1.64 2.432793937e+01 4.994077903e+01 6.205916170e+01 1.66 2.167591684e+01 4.533321640e+01 5.653240689e+01 1.68 1.927200773e+01 4.111563910e+01 5.145649825e+01 1.70 1.709292915e+01 3.725316920e+01 4.679590438e+01 1.72 1.511719205e+01 3.371386708e+01 4.251802151e+01 1.74 1.332495793e+01 3.046880470e+01 3.859282205e+01 1.76 1.169797521e+01 2.749212362e+01 3.499261994e+01 1.78 1.021963162e+01 2.476097009e+01 3.169182471e+01 1.80 8.875062116e+00 2.225523590e+01 2.866669447e+01 1.82 7.651199118e+00 1.995713930e+01 2.589507407e+01 1.84 6.536699402e+00 1.785074840e+01 2.335614343e+01 1.86 5.521743454e+00 1.592156544e+01 2.103021928e+01 1.88 4.597771746e+00 1.415621344e+01 1.889867497e+01 1.90 3.757223014e+00 1.254221785e+01 1.694400661e+01 1.92 2.993317342e+00 1.106784702e+01 1.515001719e+01 1.94 2.299897836e+00 9.721990837e+00 1.350204477e+01 1.96 1.671316462e+00 8.494074996e+00 1.198712120e+01 1.98 1.102352373e+00 7.374024920e+00 1.059398403e+01 2.00 5.881531802e-01 6.352285878e+00 9.312926394e+00 2.02 1.241948738e-01 5.419892923e+00 8.135533365e+00 2.04 -2.937434750e-01 4.568568988e+00 7.054382849e+00 2.06 -6.695932311e-01 3.790815293e+00 6.062773709e+00 2.08 -1.007005342e+00 3.079958179e+00 5.154519020e+00 2.10 -1.309355876e+00 2.430133774e+00 4.323809397e+00 2.12 -1.579751264e+00 1.836214326e+00 3.565140362e+00 2.14 -1.821034823e+00 1.293697642e+00 2.873283707e+00 2.16 -2.035795441e+00 7.985870884e-01 2.243281495e+00 2.18 -2.226379353e+00 3.472812474e-01 1.670444776e+00 2.20 -2.394901858e+00 -6.351366881e-02 1.150345030e+00 2.22 -2.543261994e+00 -4.368471751e-01 6.788013480e-01 2.24 -2.673158688e+00 -7.755632453e-01 2.518599318e-01 2.26 -2.786119801e+00 -1.082320165e+00 -1.342230933e-01 2.28 -2.883478479e+00 -1.359599216e+00 -4.829940400e-01 2.30 -2.966427793e+00 -1.609706333e+00 -7.978032423e-01 2.32 -3.036055888e+00 -1.834776431e+00 -1.081798390e+00 2.34 -3.093367899e+00 -2.036776486e+00 -1.337909077e+00 2.36 -3.139304993e+00 -2.217513750e+00 -1.568828378e+00 2.38 -3.174688042e+00 -2.378644791e+00 -1.776998107e+00 2.40 -3.199742803e+00 -2.521686731e+00 -1.964601206e+00 2.42 -3.214510144e+00 -2.648030586e+00 -2.133567368e+00 2.44 -3.219148159e+00 -2.758960648e+00 -2.285589990e+00 2.46 -3.213897465e+00 -2.855663531e+00 -2.422153165e+00 2.48 -3.199052498e+00 -2.939224298e+00 -2.544564076e+00 2.50 -3.174943470e+00 -3.010658989e+00 -2.653989680e+00 2.52 -3.141930041e+00 -3.070928852e+00 -2.751489103e+00 2.54 -3.100406718e+00 -3.120944707e+00 -2.838003260e+00 2.56 -3.050818460e+00 -3.161568517e+00 -2.914401371e+00 2.58 -2.993683205e+00 -3.193576138e+00 -2.981492496e+00 2.60 -2.929616945e+00 -3.217377332e+00 -3.040027970e+00 2.62 -2.859353781e+00 -3.233116446e+00 -3.090701081e+00 2.64 -2.783756177e+00 -3.240950316e+00 -3.134145863e+00 2.66 -2.703808682e+00 -3.241091554e+00 -3.170770356e+00 2.68 -2.620623651e+00 -3.233792298e+00 -3.200589272e+00 2.70 -2.535295610e+00 -3.219333564e+00 -3.223623637e+00 2.72 -2.448879234e+00 -3.198020939e+00 -3.239943286e+00 2.74 -2.362363893e+00 -3.170185262e+00 -3.249649285e+00 2.76 -2.276612554e+00 -3.136186641e+00 -3.252861811e+00 2.78 -2.192238637e+00 -3.096419554e+00 -3.249712746e+00 2.80 -2.109519104e+00 -3.051317391e+00 -3.240342359e+00 2.82 -2.028550691e+00 -3.001352133e+00 -3.224898598e+00 2.84 -1.949295932e+00 -2.947030082e+00 -3.203538576e+00 2.86 -1.871626848e+00 -2.888880684e+00 -3.176430600e+00 2.88 -1.795377067e+00 -2.827458263e+00 -3.143756079e+00 2.90 -1.720392636e+00 -2.763292654e+00 -3.105710628e+00 2.92 -1.646572793e+00 -2.696811217e+00 -3.062503923e+00 2.94 -1.573897182e+00 -2.628406578e+00 -3.014358129e+00 2.96 -1.502430444e+00 -2.558423033e+00 -2.961504498e+00 2.98 -1.432313899e+00 -2.487139467e+00 -2.904181090e+00 3.00 -1.363741352e+00 -2.414687898e+00 -2.842652901e+00 3.02 -1.296928271e+00 -2.341107198e+00 -2.777139045e+00 3.04 -1.232080784e+00 -2.266419436e+00 -2.707823574e+00 3.06 -1.169370463e+00 -2.190635013e+00 -2.634893893e+00 3.08 -1.108918635e+00 -2.113758597e+00 -2.558543607e+00 3.10 -1.050791278e+00 -2.035801339e+00 -2.478970251e+00 3.12 -9.950032417e-01 -1.956793943e+00 -2.396288350e+00 3.14 -9.415290347e-01 -1.876802659e+00 -2.310588616e+00 3.16 -8.903168956e-01 -1.795942347e+00 -2.222029562e+00 3.18 -8.413031606e-01 -1.714391052e+00 -2.130854836e+00 3.20 -7.944246494e-01 -1.632399782e+00 -2.037407929e+00 3.22 -7.496276763e-01 -1.550297732e+00 -1.942142943e+00 3.24 -7.068730943e-01 -1.468490990e+00 -1.845627354e+00 3.26 -6.661374138e-01 -1.387453558e+00 -1.748535500e+00 3.28 -6.274105137e-01 -1.307710324e+00 -1.651630221e+00 3.30 -5.906907972e-01 -1.229812761e+00 -1.555733204e+00 3.32 -5.559788617e-01 -1.154309473e+00 -1.461686121e+00 3.34 -5.232708294e-01 -1.081714820e+00 -1.370306496e+00 3.36 -4.925524054e-01 -1.012479450e+00 -1.282343545e+00 3.38 -4.637944910e-01 -9.469663830e-01 -1.198439376e+00 3.40 -4.369507915e-01 -8.854352339e-01 -1.119100067e+00 3.42 -4.119571835e-01 -8.280362724e-01 -1.044679395e+00 3.44 -3.887349147e-01 -7.748126795e-01 -9.753758073e-01 3.46 -3.671909306e-01 -7.257111870e-01 -9.112413130e-01 3.48 -3.472229948e-01 -6.805973863e-01 -8.521995130e-01 3.50 -3.287233707e-01 -6.392738016e-01 -7.980689802e-01 3.52 -3.115831813e-01 -6.014984089e-01 -7.485909824e-01 3.54 -2.956943039e-01 -5.670019034e-01 -7.034525483e-01 3.56 -2.809517809e-01 -5.355026259e-01 -6.623113949e-01 3.58 -2.672556065e-01 -5.067186186e-01 -6.248147704e-01 3.60 -2.545119633e-01 -4.803767227e-01 -5.906145060e-01 3.62 -2.426339932e-01 -4.562189371e-01 -5.593778028e-01 3.64 -2.315421671e-01 -4.340064290e-01 -5.307941443e-01 3.66 -2.211643003e-01 -4.135216574e-01 -5.045789579e-01 3.68 -2.114352749e-01 -3.945690700e-01 -4.804747704e-01 3.70 -2.022965522e-01 -3.769747834e-01 -4.582506266e-01 3.72 -1.936955762e-01 -3.605855974e-01 -4.377004803e-01 3.74 -1.855851624e-01 -3.452675806e-01 -4.186411251e-01 3.76 -1.779229389e-01 -3.309044624e-01 -4.009100549e-01 3.78 -1.706708687e-01 -3.173959461e-01 -3.843634601e-01 3.80 -1.637948515e-01 -3.046559965e-01 -3.688744225e-01 3.82 -1.572643816e-01 -2.926106163e-01 -3.543312907e-01 3.84 -1.510522378e-01 -2.811969129e-01 -3.406361860e-01 3.86 -1.451341880e-01 -2.703623265e-01 -3.277035831e-01 3.88 -1.394886969e-01 -2.600617357e-01 -3.154589693e-01 3.90 -1.340966395e-01 -2.502560917e-01 -3.038375643e-01 3.92 -1.289409211e-01 -2.409110389e-01 -2.927829094e-01 3.94 -1.240066422e-01 -2.319963880e-01 -2.822465978e-01 3.96 -1.192801750e-01 -2.234843857e-01 -2.721859061e-01 3.98 -1.147494260e-01 -2.153497133e-01 -2.625638394e-01 4.00 -1.104035125e-01 -2.075689195e-01 -2.533480710e-01 4.02 -1.062325926e-01 -2.001201933e-01 -2.445100622e-01 4.04 -1.022277195e-01 -1.929832535e-01 -2.360247546e-01 4.06 -9.838071710e-02 -1.861392993e-01 -2.278701208e-01 4.08 -9.468407489e-02 -1.795709792e-01 -2.200265191e-01 4.10 -9.113085901e-02 -1.732619889e-01 -2.124763369e-01 4.12 -8.771463783e-02 -1.671985384e-01 -2.052036909e-01 4.14 -8.442941945e-02 -1.613668546e-01 -1.981941756e-01 4.16 -8.126959916e-02 -1.557547926e-01 -1.914346542e-01 4.18 -7.822991532e-02 -1.503512713e-01 -1.849130860e-01 4.20 -7.530541228e-02 -1.451461637e-01 -1.786183856e-01 4.22 -7.249140895e-02 -1.401301900e-01 -1.725403100e-01 4.24 -6.978347222e-02 -1.352948170e-01 -1.666693702e-01 4.26 -6.717739427e-02 -1.306321676e-01 -1.609967643e-01 4.28 -6.466917321e-02 -1.261349394e-01 -1.555143287e-01 4.30 -6.225499633e-02 -1.217963343e-01 -1.502145051e-01 4.32 -5.993122572e-02 -1.176099971e-01 -1.450903194e-01 4.34 -5.769438561e-02 -1.135699634e-01 -1.401353671e-01 4.36 -5.554097465e-02 -1.096706153e-01 -1.353438010e-01 4.38 -5.346819724e-02 -1.059066432e-01 -1.307103149e-01 4.40 -5.147278525e-02 -1.022730139e-01 -1.262301153e-01 4.42 -4.955181465e-02 -9.876494346e-02 -1.218988777e-01 4.44 -4.770247955e-02 -9.537787431e-02 -1.177126820e-01 4.46 -4.592208506e-02 -9.210745520e-02 -1.136679281e-01 4.48 -4.420804206e-02 -8.894952456e-02 -1.097612358e-01 4.50 -4.255786203e-02 -8.590009605e-02 -1.059893369e-01 4.52 -4.096900704e-02 -8.295534570e-02 -1.023485482e-01 4.54 -3.943949333e-02 -8.011160097e-02 -9.883645352e-02 4.56 -3.796692884e-02 -7.736533118e-02 -9.544905224e-02 4.58 -3.654918337e-02 -7.471313896e-02 -9.218268951e-02 4.60 -3.518420599e-02 -7.215175260e-02 -8.903353614e-02 4.62 -3.387002150e-02 -6.967801918e-02 -8.599761590e-02 4.64 -3.260472716e-02 -6.728889830e-02 -8.307085198e-02 4.66 -3.138648953e-02 -6.498145640e-02 -8.024912320e-02 4.68 -3.021354140e-02 -6.275286145e-02 -7.752832169e-02 4.70 -2.908417890e-02 -6.060037809e-02 -7.490440522e-02 4.72 -2.799675866e-02 -5.852136305e-02 -7.237344040e-02 4.74 -2.694969507e-02 -5.651326082e-02 -6.993163463e-02 4.76 -2.594145759e-02 -5.457359961e-02 -6.757535715e-02 4.78 -2.497055997e-02 -5.269998742e-02 -6.530115027e-02 4.80 -2.403546698e-02 -5.088990265e-02 -6.310573267e-02 4.82 -2.313479042e-02 -4.914154996e-02 -6.098599683e-02 4.84 -2.226722327e-02 -4.745249329e-02 -5.893900233e-02 4.86 -2.143149660e-02 -4.582058947e-02 -5.696196663e-02 4.88 -2.062637771e-02 -4.424380197e-02 -5.505225461e-02 4.90 -1.985066828e-02 -4.272015529e-02 -5.320736765e-02 4.92 -1.910320243e-02 -4.124772883e-02 -5.142493290e-02 4.94 -1.838284475e-02 -3.982465441e-02 -4.970269316e-02 4.96 -1.768848826e-02 -3.844911402e-02 -4.803849778e-02 4.98 -1.701905243e-02 -3.711933716e-02 -4.643029337e-02 5.00 -1.637348106e-02 -3.583359908e-02 -4.487611652e-02 5.02 -1.575074023e-02 -3.459021919e-02 -4.337408709e-02 5.04 -1.514981622e-02 -3.338755974e-02 -4.192240215e-02 5.06 -1.456971352e-02 -3.222402496e-02 -4.051933062e-02 5.08 -1.400945282e-02 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-6.279244312e-03 -1.582234955e-02 -2.119921433e-02 5.46 -5.930487383e-03 -1.519916856e-02 -2.048532282e-02 5.48 -5.586871542e-03 -1.459778058e-02 -1.979478699e-02 5.50 -5.248487824e-03 -1.401823507e-02 -1.912677555e-02 5.52 -4.915608950e-03 -1.346053407e-02 -1.848047666e-02 5.54 -4.588694736e-03 -1.292460086e-02 -1.785499163e-02 5.56 -4.268388958e-03 -1.241025467e-02 -1.724977065e-02 5.58 -3.955505912e-03 -1.191719340e-02 -1.666392900e-02 5.60 -3.651005610e-03 -1.144498540e-02 -1.609672129e-02 5.62 -3.355957533e-03 -1.099307042e-02 -1.554741555e-02 5.64 -3.071494179e-03 -1.056076861e-02 -1.501529214e-02 5.66 -2.798756918e-03 -1.014729598e-02 -1.449964255e-02 5.68 -2.538837919e-03 -9.751784151e-03 -1.399976835e-02 5.70 -2.292722694e-03 -9.373302136e-03 -1.351498009e-02 5.72 -2.061238064e-03 -9.010878331e-03 -1.304459638e-02 5.74 -1.845009913e-03 -8.663521042e-03 -1.258794301e-02 5.76 -1.644434062e-03 -8.330236534e-03 -1.214435231e-02 5.78 -1.459662092e-03 -8.010044008e-03 -1.171316261e-02 5.80 -1.290602273e-03 -7.701987350e-03 -1.129371799e-02 5.82 -1.136934227e-03 -7.405143811e-03 -1.088536843e-02 5.84 -9.981346990e-04 -7.118629997e-03 -1.048747024e-02 5.86 -8.735111108e-04 -6.841605684e-03 -1.009938702e-02 5.88 -7.622393665e-04 -6.573275992e-03 -9.720491259e-03 5.90 -6.634026160e-04 -6.312892483e-03 -9.350166509e-03 5.92 -5.760282460e-04 -6.059753667e-03 -8.987810462e-03 5.94 -4.991211071e-04 -5.813205379e-03 -8.632838877e-03 5.96 -4.316917376e-04 -5.572641361e-03 -8.284690542e-03 5.98 -3.727790331e-04 -5.337504368e-03 -7.942833330e-03 6.00 -3.214673666e-04 -5.107287976e-03 -7.606771405e-03