# 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 = Fe3Pd # 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 2.694335892e+02 nan nan 1.16 2.444895104e+02 nan nan 1.18 2.218038745e+02 nan nan 1.20 2.011577783e+02 nan nan 1.22 1.823601997e+02 nan nan 1.24 1.652439519e+02 nan nan 1.26 1.496604758e+02 nan nan 1.28 1.354748495e+02 2.268367350e+02 2.658166302e+02 1.30 1.225621667e+02 2.073203918e+02 2.435884952e+02 1.32 1.108059774e+02 1.894307021e+02 2.231928491e+02 1.34 1.000985234e+02 1.730260828e+02 2.044693338e+02 1.36 9.034158943e+01 1.579782571e+02 1.872716799e+02 1.38 8.144678975e+01 1.441702877e+02 1.714681328e+02 1.40 7.333501246e+01 1.314954216e+02 1.569408499e+02 1.42 6.593549714e+01 1.198568033e+02 1.435838569e+02 1.44 5.918495383e+01 1.091675116e+02 1.313006699e+02 1.46 5.302670987e+01 9.935009561e+01 1.200026662e+02 1.48 4.740975633e+01 9.033526290e+01 1.096084143e+02 1.50 4.229150688e+01 8.206008992e+01 1.000435017e+02 1.52 3.764982643e+01 7.446637506e+01 9.124030121e+01 1.54 3.344553660e+01 6.749953092e+01 8.313739838e+01 1.56 2.963982681e+01 6.110807483e+01 7.567876666e+01 1.58 2.619739828e+01 5.524357509e+01 6.881296364e+01 1.60 2.308588186e+01 4.986087132e+01 6.249256524e+01 1.62 2.027542866e+01 4.491838916e+01 5.667386896e+01 1.64 1.773847672e+01 4.038247491e+01 5.131674293e+01 1.66 1.544961695e+01 3.623837226e+01 4.638445879e+01 1.68 1.338547388e+01 3.245577938e+01 4.184373736e+01 1.70 1.152453844e+01 2.900461463e+01 3.767799064e+01 1.72 9.846948768e+00 2.585716168e+01 3.386413132e+01 1.74 8.334293734e+00 2.298774550e+01 3.037406828e+01 1.76 6.969545268e+00 2.037262812e+01 2.718182260e+01 1.78 5.737165770e+00 1.799001590e+01 2.426328275e+01 1.80 4.623320454e+00 1.582003585e+01 2.159603279e+01 1.82 3.616034681e+00 1.384460942e+01 1.915925715e+01 1.84 2.705153902e+00 1.204724948e+01 1.693369744e+01 1.86 1.882086987e+00 1.041285201e+01 1.490160039e+01 1.88 1.139437906e+00 8.927535272e+00 1.304661067e+01 1.90 4.706586225e-01 7.578531260e+00 1.135363172e+01 1.92 -1.302017183e-01 6.354099231e+00 9.808723486e+00 1.94 -6.686460297e-01 5.243430459e+00 8.399077900e+00 1.96 -1.149807475e+00 4.236535697e+00 7.113047613e+00 1.98 -1.578490522e+00 3.324133765e+00 5.940165935e+00 2.00 -1.959198283e+00 2.497574566e+00 4.871107755e+00 2.02 -2.296157532e+00 1.748821000e+00 3.897579215e+00 2.04 -2.593342823e+00 1.070485433e+00 3.012156949e+00 2.06 -2.854493636e+00 4.558876724e-01 2.208111649e+00 2.08 -3.083115472e+00 -1.009075338e-01 1.479247963e+00 2.10 -3.282460211e+00 -6.051015827e-01 8.197821024e-01 2.12 -3.455492585e+00 -1.061225194e+00 2.242667953e-01 2.14 -3.604860435e+00 -1.473237221e+00 -3.124375735e-01 2.16 -3.732886505e+00 -1.844635012e+00 -7.951575119e-01 2.18 -3.841587641e+00 -2.178555595e+00 -1.228387681e+00 2.20 -3.932713420e+00 -2.477855769e+00 -1.616281865e+00 2.22 -4.007790544e+00 -2.745168110e+00 -1.962667701e+00 2.24 -4.068257281e+00 -2.982936149e+00 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-4.186614959e+00 -4.183397837e+00 2.62 -3.429678466e+00 -4.157735672e+00 -4.185558358e+00 2.64 -3.325998643e+00 -4.123765417e+00 -4.181910167e+00 2.66 -3.218087136e+00 -4.084660435e+00 -4.172868871e+00 2.68 -3.106976730e+00 -4.040285955e+00 -4.158884863e+00 2.70 -2.993787245e+00 -3.990588573e+00 -4.140380944e+00 2.72 -2.879656054e+00 -3.935586639e+00 -4.117534982e+00 2.74 -2.765665133e+00 -3.875365460e+00 -4.090176993e+00 2.76 -2.652776952e+00 -3.810077759e+00 -4.058183038e+00 2.78 -2.541789000e+00 -3.739947085e+00 -4.021497939e+00 2.80 -2.433312283e+00 -3.665271336e+00 -3.980114379e+00 2.82 -2.327774087e+00 -3.586423471e+00 -3.934055100e+00 2.84 -2.225440908e+00 -3.503846879e+00 -3.883360180e+00 2.86 -2.126454281e+00 -3.418043750e+00 -3.828080512e+00 2.88 -2.030870988e+00 -3.329556124e+00 -3.768276951e+00 2.90 -1.938699777e+00 -3.238940762e+00 -3.704023118e+00 2.92 -1.849928939e+00 -3.146740390e+00 -3.635409243e+00 2.94 -1.764542173e+00 -3.053454876e+00 -3.562544810e+00 2.96 -1.682523123e+00 -2.959516342e+00 -3.485558815e+00 2.98 -1.603851346e+00 -2.865271833e+00 -3.404597598e+00 3.00 -1.528493664e+00 -2.770975943e+00 -3.319821139e+00 3.02 -1.456394966e+00 -2.676794011e+00 -3.231399230e+00 3.04 -1.387471733e+00 -2.582814647e+00 -3.139509013e+00 3.06 -1.321610144e+00 -2.489069059e+00 -3.044335148e+00 3.08 -1.258669217e+00 -2.395554154e+00 -2.946073480e+00 3.10 -1.198488235e+00 -2.302256681e+00 -2.844938467e+00 3.12 -1.140896963e+00 -2.209176316e+00 -2.741174071e+00 3.14 -1.085726935e+00 -2.116346225e+00 -2.635067174e+00 3.16 -1.032822199e+00 -2.023850079e+00 -2.526961996e+00 3.18 -9.820482236e-01 -1.931834624e+00 -2.417273465e+00 3.20 -9.332980856e-01 -1.840516917e+00 -2.306497152e+00 3.22 -8.864954555e-01 -1.750185363e+00 -2.195213334e+00 3.24 -8.415942655e-01 -1.661193910e+00 -2.084083039e+00 3.26 -7.985752890e-01 -1.573949245e+00 -1.973834788e+00 3.28 -7.574401656e-01 -1.488891605e+00 -1.865241903e+00 3.30 -7.182036530e-01 -1.406470732e+00 -1.759091759e+00 3.32 -6.808851242e-01 -1.327119345e+00 -1.656149785e+00 3.34 -6.455002948e-01 -1.251227028e+00 -1.557122061e+00 3.36 -6.120540807e-01 -1.179117519e+00 -1.462620779e+00 3.38 -5.805353006e-01 -1.111031837e+00 -1.373136490e+00 3.40 -5.509136958e-01 -1.047118805e+00 -1.289019987e+00 3.42 -5.231395450e-01 -9.874333293e-01 -1.210475246e+00 3.44 -4.971445685e-01 -9.319417410e-01 -1.137563218e+00 3.46 -4.728447321e-01 -8.805326566e-01 -1.070214922e+00 3.48 -4.501439779e-01 -8.330313919e-01 -1.008251332e+00 3.50 -4.289382933e-01 -7.892159417e-01 -9.514071231e-01 3.52 -4.091196636e-01 -7.488327980e-01 -8.993554796e-01 3.54 -3.905795799e-01 -7.116113306e-01 -8.517316126e-01 3.56 -3.732119153e-01 -6.772759463e-01 -8.081533671e-01 3.58 -3.569150956e-01 -6.455556868e-01 -7.682380212e-01 3.60 -3.415935872e-01 -6.161912728e-01 -7.316150244e-01 3.62 -3.271587770e-01 -5.889398291e-01 -6.979348926e-01 3.64 -3.135293517e-01 -5.635776428e-01 -6.668747660e-01 3.66 -3.006312885e-01 -5.399013929e-01 -6.381412668e-01 3.68 -2.883975654e-01 -5.177282170e-01 -6.114713021e-01 3.70 -2.767676837e-01 -4.968949371e-01 -5.866313985e-01 3.72 -2.656870771e-01 -4.772567762e-01 -5.634160932e-01 3.74 -2.551064662e-01 -4.586856641e-01 -5.416457389e-01 3.76 -2.449812009e-01 -4.410688134e-01 -5.211639948e-01 3.78 -2.352706212e-01 -4.243069583e-01 -5.018352509e-01 3.80 -2.259374550e-01 -4.083125819e-01 -4.835420186e-01 3.82 -2.169472689e-01 -3.930084812e-01 -4.661829595e-01 3.84 -2.082679776e-01 -3.783264919e-01 -4.496704678e-01 3.86 -1.998694204e-01 -3.642064052e-01 -4.339286958e-01 3.88 -1.917230087e-01 -3.505950889e-01 -4.188918754e-01 3.90 -1.838014502e-01 -3.374458183e-01 -4.045028377e-01 3.92 -1.760785570e-01 -3.247178110e-01 -3.907117239e-01 3.94 -1.685291456e-01 -3.123759525e-01 -3.774748715e-01 3.96 -1.611290388e-01 -3.003906819e-01 -3.647538572e-01 3.98 -1.538551824e-01 -2.887380006e-01 -3.525146807e-01 4.00 -1.466858881e-01 -2.773995428e-01 -3.407270681e-01 4.02 -1.396012124e-01 -2.663626342e-01 -3.293638794e-01 4.04 -1.325834779e-01 -2.556202521e-01 -3.184006049e-01 4.06 -1.256179314e-01 -2.451707936e-01 -3.078149359e-01 4.08 -1.186935220e-01 -2.350175734e-01 -2.975863996e-01 4.10 -1.118037590e-01 -2.251679971e-01 -2.876960463e-01 4.12 -1.049475871e-01 -2.156324093e-01 -2.781261810e-01 4.14 -9.813018656e-02 -2.064226626e-01 -2.688601330e-01 4.16 -9.136358474e-02 -1.975505306e-01 -2.598820562e-01 4.18 -8.466694522e-02 -1.890261147e-01 -2.511767553e-01 4.20 -7.806640802e-02 -1.808564207e-01 -2.427295350e-01 4.22 -7.159437808e-02 -1.730442595e-01 -2.345260682e-01 4.24 -6.528821629e-02 -1.655875767e-01 -2.265522810e-01 4.26 -5.918836755e-02 -1.584792442e-01 -2.187942543e-01 4.28 -5.333605223e-02 -1.517072874e-01 -2.112381398e-01 4.30 -4.777073397e-02 -1.452554590e-01 -2.038700928e-01 4.32 -4.252763213e-02 -1.391040029e-01 -1.966762211e-01 4.34 -3.763554833e-02 -1.332302088e-01 -1.896425540e-01 4.36 -3.311526368e-02 -1.276104067e-01 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-3.014513785e-05 -4.511831096e-05 5.80 -4.248860281e-07 -2.617654134e-05 -3.917832698e-05 5.82 -3.698105485e-07 -2.274288229e-05 -3.403903459e-05 5.84 -3.220380155e-07 -1.977041020e-05 -2.959004081e-05 5.86 -2.805781232e-07 -1.719575965e-05 -2.573649796e-05 5.88 -2.445778557e-07 -1.496445961e-05 -2.239687224e-05 5.90 -2.133020339e-07 -1.302966030e-05 -1.950103795e-05 5.92 -1.861166807e-07 -1.135104542e-05 -1.698864911e-05 5.94 -1.624747850e-07 -9.893902291e-06 -1.480774768e-05 5.96 -1.419041096e-07 -8.628326895e-06 -1.291357339e-05 5.98 -1.239967470e-07 -7.528543695e-06 -1.126754573e-05 6.00 -1.084001646e-07 -6.572323576e-06 -9.836392593e-06