# 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 = Fe3W # 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 3.007943138e+02 nan nan 1.16 2.720892906e+02 nan nan 1.18 2.460812239e+02 nan nan 1.20 2.225071279e+02 nan nan 1.22 2.011290890e+02 nan nan 1.24 1.817333996e+02 nan nan 1.26 1.641290905e+02 nan nan 1.28 1.481453664e+02 2.520264820e+02 2.972659401e+02 1.30 1.336288369e+02 2.297939201e+02 2.717432569e+02 1.32 1.204417569e+02 2.094555834e+02 2.483585932e+02 1.34 1.084611336e+02 1.908327052e+02 2.269227324e+02 1.36 9.757749461e+01 1.737663319e+02 2.072659239e+02 1.38 8.769273909e+01 1.581163297e+02 1.892367406e+02 1.40 7.871767633e+01 1.437598383e+02 1.726998988e+02 1.42 7.057015355e+01 1.305893974e+02 1.575330801e+02 1.44 6.317414292e+01 1.185107748e+02 1.436238058e+02 1.46 5.645956174e+01 1.074405283e+02 1.308673542e+02 1.48 5.036239946e+01 9.730351175e+01 1.191660356e+02 1.50 4.482484665e+01 8.803065118e+01 1.084294574e+02 1.52 3.979528975e+01 7.955728392e+01 9.857505309e+01 1.54 3.522809514e+01 7.182219258e+01 8.952825628e+01 1.56 3.108373820e+01 6.476725662e+01 8.122215514e+01 1.58 2.732717544e+01 5.833747418e+01 7.359682781e+01 1.60 2.392645893e+01 5.248106906e+01 6.659856705e+01 1.62 2.085199549e+01 4.714949393e+01 6.017904125e+01 1.64 1.807648625e+01 4.229729173e+01 5.429438795e+01 1.66 1.557434961e+01 3.788188577e+01 4.890431617e+01 1.68 1.332145905e+01 3.386342191e+01 4.397135125e+01 1.70 1.129511452e+01 3.020537577e+01 3.946032180e+01 1.72 9.474020954e+00 2.687351225e+01 3.533811023e+01 1.74 7.838277560e+00 2.383609267e+01 3.157390664e+01 1.76 6.369429524e+00 2.106424357e+01 2.813946918e+01 1.78 5.050593933e+00 1.853234472e+01 2.500797039e+01 1.80 3.866593276e+00 1.621813111e+01 2.215458699e+01 1.82 2.803995070e+00 1.410221638e+01 1.955610961e+01 1.84 1.850998485e+00 1.216778848e+01 1.719114483e+01 1.86 9.971887984e-01 1.040028512e+01 1.503957654e+01 1.88 2.332365717e-01 8.787040559e+00 1.308229213e+01 1.90 -4.493755009e-01 7.316888946e+00 1.130115653e+01 1.92 -1.058544057e+00 5.979741674e+00 9.679146353e+00 1.94 -1.601639525e+00 4.766191997e+00 8.200557141e+00 1.96 -2.085520222e+00 3.667206997e+00 6.851177545e+00 1.98 -2.516499963e+00 2.673945812e+00 5.618361916e+00 2.00 -2.900303880e+00 1.777709832e+00 4.490997324e+00 2.02 -3.241901254e+00 9.699999442e-01 3.459404878e+00 2.04 -3.545864930e+00 2.426355712e-01 2.515216729e+00 2.06 -3.816364934e+00 -4.121155614e-01 1.651245205e+00 2.08 -4.056917472e+00 -1.001437083e+00 8.613394249e-01 2.10 -4.270474622e+00 -1.531910176e+00 1.402228191e-01 2.12 -4.459360674e+00 -2.009500045e+00 -5.166837931e-01 2.14 -4.624922144e+00 -2.439564808e+00 -1.113438509e+00 2.16 -4.768399476e+00 -2.826872220e+00 -1.653737155e+00 2.18 -4.891129162e+00 -3.175620751e+00 -2.141043167e+00 2.20 -4.994478185e+00 -3.489363681e+00 -2.578684486e+00 2.22 -5.079797417e+00 -3.771298894e+00 -2.969918926e+00 2.24 -5.148390276e+00 -4.024404028e+00 -3.317971920e+00 2.26 -5.201493721e+00 -4.251208746e+00 -3.626050984e+00 2.28 -5.240269244e+00 -4.453883402e+00 -3.897340828e+00 2.30 -5.265801723e+00 -4.634310364e+00 -4.134884904e+00 2.32 -5.279103682e+00 -4.793833313e+00 -4.341783095e+00 2.34 -5.281122150e+00 -4.933354420e+00 -4.521161044e+00 2.36 -5.272745129e+00 -5.053844798e+00 -4.675978571e+00 2.38 -5.254805150e+00 -5.156320183e+00 -4.809002456e+00 2.40 -5.228078535e+00 -5.241799275e+00 -4.922787949e+00 2.42 -5.193280617e+00 -5.311279541e+00 -5.019490352e+00 2.44 -5.151058809e+00 -5.365726362e+00 -5.100480974e+00 2.46 -5.101994511e+00 -5.406071633e+00 -5.166988429e+00 2.48 -5.046589022e+00 -5.433218007e+00 -5.220254146e+00 2.50 -4.985249132e+00 -5.448045099e+00 -5.261515960e+00 2.52 -4.918333233e+00 -5.451414484e+00 -5.291983854e+00 2.54 -4.846170309e+00 -5.444171228e+00 -5.312811850e+00 2.56 -4.769082766e+00 -5.427141003e+00 -5.325071529e+00 2.58 -4.687404182e+00 -5.401123191e+00 -5.329731696e+00 2.60 -4.601106471e+00 -5.366881518e+00 -5.327646387e+00 2.62 -4.509665660e+00 -5.325134341e+00 -5.319550940e+00 2.64 -4.412744617e+00 -5.276547184e+00 -5.306064228e+00 2.66 -4.310239912e+00 -5.221732213e+00 -5.287694651e+00 2.68 -4.202253010e+00 -5.161234846e+00 -5.264847822e+00 2.70 -4.089051027e+00 -5.095553587e+00 -5.237834715e+00 2.72 -3.971019188e+00 -5.025141348e+00 -5.206879889e+00 2.74 -3.848609965e+00 -4.950410555e+00 -5.172132129e+00 2.76 -3.722295633e+00 -4.871762138e+00 -5.133680378e+00 2.78 -3.592530978e+00 -4.789568920e+00 -5.091534761e+00 2.80 -3.459730899e+00 -4.703980685e+00 -5.045663119e+00 2.82 -3.324264422e+00 -4.615072392e+00 -4.996009716e+00 2.84 -3.186463181e+00 -4.522925455e+00 -4.942510098e+00 2.86 -3.046639771e+00 -4.427355776e+00 -4.885106030e+00 2.88 -2.905110201e+00 -4.328151139e+00 -4.823758968e+00 2.90 -2.762215000e+00 -4.225226672e+00 -4.758437747e+00 2.92 -2.618335041e+00 -4.118606330e+00 -4.688840183e+00 2.94 -2.473900328e+00 -4.008404690e+00 -4.614537221e+00 2.96 -2.329392094e+00 -3.894810431e+00 -4.535211980e+00 2.98 -2.185340137e+00 -3.778071072e+00 -4.450644437e+00 3.00 -2.042317773e+00 -3.658478158e+00 -4.360690530e+00 3.02 -1.900936239e+00 -3.536352126e+00 -4.265263428e+00 3.04 -1.761838956e+00 -3.412026857e+00 -4.164318538e+00 3.06 -1.625694621e+00 -3.285834842e+00 -4.057843552e+00 3.08 -1.493187143e+00 -3.158094769e+00 -3.945854313e+00 3.10 -1.365000622e+00 -3.029103600e+00 -3.828396699e+00 3.12 -1.241798738e+00 -2.899134793e+00 -3.705554148e+00 3.14 -1.124199723e+00 -2.768443261e+00 -3.577459842e+00 3.16 -1.012749754e+00 -2.637276331e+00 -3.444312025e+00 3.18 -9.078985146e-01 -2.505888696e+00 -3.306390464e+00 3.20 -8.099804960e-01 -2.374558502e+00 -3.164071689e+00 3.22 -7.192044894e-01 -2.243601418e+00 -3.017840535e+00 3.24 -6.356520338e-01 -2.113379938e+00 -2.868295660e+00 3.26 -5.592839855e-01 -1.984306024e+00 -2.716147356e+00 3.28 -4.899532204e-01 -1.856836470e+00 -2.562206900e+00 3.30 -4.274210434e-01 -1.731461737e+00 -2.407367978e+00 3.32 -3.713750443e-01 -1.608690133e+00 -2.252581944e+00 3.34 -3.214466980e-01 -1.489029913e+00 -2.098829611e+00 3.36 -2.772276910e-01 -1.372971949e+00 -1.947092567e+00 3.38 -2.382843950e-01 -1.260975040e+00 -1.798326685e+00 3.40 -2.041706685e-01 -1.153454995e+00 -1.653439518e+00 3.42 -1.744394961e-01 -1.050777519e+00 -1.513272112e+00 3.44 -1.486516260e-01 -9.532540751e-01 -1.378584740e+00 3.46 -1.263833862e-01 -8.611394814e-01 -1.250045482e+00 3.48 -1.072329065e-01 -7.746300773e-01 -1.128220607e+00 3.50 -9.082473181e-02 -6.938617640e-01 -1.013566199e+00 3.52 -7.681290390e-02 -6.189078590e-01 -9.064211684e-01 3.54 -6.488263771e-02 -5.497772603e-01 -8.070024090e-01 3.56 -5.475076885e-02 -4.864137304e-01 -7.154031484e-01 3.58 -4.616518867e-02 -4.286971042e-01 -6.315954263e-01 3.60 -3.890348901e-02 -3.764469578e-01 -5.554371870e-01 3.62 -3.277104677e-02 -3.294288555e-01 -4.866838439e-01 3.64 -2.759877744e-02 -2.873628597e-01 -4.250035602e-01 3.66 -2.324015517e-02 -2.499336554e-01 -3.699950429e-01 3.68 -1.956884466e-02 -2.168014624e-01 -3.212064397e-01 3.70 -1.647899246e-02 -1.876128919e-01 -2.781539686e-01 3.72 -1.387998586e-02 -1.620110372e-01 -2.403391285e-01 3.74 -1.169455293e-02 -1.396439919e-01 -2.072636740e-01 3.76 -9.857109879e-03 -1.201721241e-01 -1.784418918e-01 3.78 -8.312190754e-03 -1.032746231e-01 -1.534098993e-01 3.80 -7.013011454e-03 -8.865225714e-02 -1.317324937e-01 3.82 -5.920189245e-03 -7.602948955e-02 -1.130077952e-01 3.84 -5.000620428e-03 -6.515566414e-02 -9.686891676e-02 3.86 -4.226508576e-03 -5.580510669e-02 -8.298457564e-02 3.88 -3.574530612e-03 -4.777642601e-02 -7.105843691e-02 3.90 -3.025126038e-03 -4.089125799e-02 -6.082754242e-02 3.92 -2.561894129e-03 -3.499265425e-02 -5.206014016e-02 3.94 -2.171084654e-03 -2.994327543e-02 -4.455317003e-02 3.96 -1.841168841e-03 -2.562350016e-02 -3.812957909e-02 3.98 -1.562478811e-03 -2.192956300e-02 -3.263564245e-02 4.00 -1.326905021e-03 -1.877175880e-02 -2.793836619e-02 4.02 -1.127642691e-03 -1.607218779e-02 -2.392257651e-02 4.04 -9.589795093e-04 -1.376420750e-02 -2.048871265e-02 4.06 -8.161179876e-04 -1.179140794e-02 -1.755306209e-02 4.08 -6.950268765e-04 -1.010517497e-02 -1.504353867e-02 4.10 -5.923169068e-04 -8.663750309e-03 -1.289815520e-02 4.12 -5.051368923e-04 -7.431354467e-03 -1.106375861e-02 4.14 -4.310868425e-04 -6.377386503e-03 -9.494863893e-03 4.16 -3.681452874e-04 -5.475708693e-03 -8.152604685e-03 4.18 -3.146084777e-04 -4.704015904e-03 -7.003804065e-03 4.20 -2.690395023e-04 -4.043285207e-03 -6.020161140e-03 4.22 -2.302256840e-04 -3.477298933e-03 -5.177544738e-03 4.24 -1.971428929e-04 -2.992233569e-03 -4.455383714e-03 4.26 -1.689256411e-04 -2.576306794e-03 -3.836142949e-03 4.28 -1.448420063e-04 -2.219475292e-03 -3.304874417e-03 4.30 -1.242725915e-04 -1.913176615e-03 -2.848833490e-03 4.32 -1.066928642e-04 -1.650109028e-03 -2.457151573e-03 4.34 -9.165832104e-05 -1.424043952e-03 -2.120557148e-03 4.36 -7.879201267e-05 -1.229666328e-03 -1.831138290e-03 4.38 -6.777407612e-05 -1.062438812e-03 -1.582140603e-03 4.40 -5.833287696e-05 -9.184862920e-04 -1.367795383e-03 4.42 -5.023759749e-05 -7.944976957e-04 -1.183173491e-03 4.44 -4.329196623e-05 -6.876425185e-04 -1.024061124e-03 4.46 -3.732897504e-05 -5.954998486e-04 -8.868541853e-04 4.48 -3.220642109e-05 -5.159980173e-04 -7.684684583e-04 4.50 -2.780314199e-05 -4.473632709e-04 -6.662632094e-04 4.52 -2.401583052e-05 -3.880761032e-04 -5.779761791e-04 4.54 -2.075636121e-05 -3.368340940e-04 -5.016683132e-04 4.56 -1.794948824e-05 -2.925202719e-04 -4.356765968e-04 4.58 -1.553093594e-05 -2.541761696e-04 -3.785739963e-04 4.60 -1.344576092e-05 -2.209788659e-04 -3.291352710e-04 4.62 -1.164696750e-05 -1.922214153e-04 -2.863078400e-04 4.64 -1.009433281e-05 -1.672961572e-04 -2.491869363e-04 4.66 -8.753409272e-06 -1.456804745e-04 -2.169944057e-04 4.68 -7.594677294e-06 -1.269246350e-04 -1.890606070e-04 4.70 -6.592824826e-06 -1.106414069e-04 -1.648089521e-04 4.72 -5.726134516e-06 -9.649718362e-05 -1.437426935e-04 4.74 -4.975962072e-06 -8.420439468e-05 -1.254336265e-04 4.76 -4.326291935e-06 -7.351501353e-05 -1.095124234e-04 4.78 -3.763358556e-06 -6.421499968e-05 -9.566035908e-05 4.80 -3.275323410e-06 -5.611953278e-05 -8.360222463e-05 4.82 -2.851999382e-06 -4.906895774e-05 -7.310025382e-05 4.84 -2.484615402e-06 -4.292524916e-05 -6.394891562e-05 4.86 -2.165615333e-06 -3.756903675e-05 -5.597044650e-05 4.88 -1.888486050e-06 -3.289702265e-05 -4.901101526e-05 4.90 -1.647610355e-06 -2.881976904e-05 -4.293742899e-05 4.92 -1.438141078e-06 -2.525979687e-05 -3.763430231e-05 4.94 -1.255893238e-06 -2.214995110e-05 -3.300162323e-05 4.96 -1.097251644e-06 -1.943199426e-05 -2.895265906e-05 4.98 -9.590916435e-07 -1.705539574e-05 -2.541215371e-05 5.00 -8.387111402e-07 -1.497628914e-05 -2.231477514e-05 5.02 -7.337722256e-07 -1.315657364e-05 -1.960377732e-05 5.04 -6.422510480e-07 -1.156313929e-05 -1.722984663e-05 5.06 -5.623947230e-07 -1.016719859e-05 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-1.077678638e-06 -1.606442520e-06 5.44 -4.884443741e-08 -9.549115123e-07 -1.423469621e-06 5.46 -4.311815474e-08 -8.464439495e-07 -1.261805596e-06 5.48 -3.807718767e-08 -7.505733306e-07 -1.118913608e-06 5.50 -3.363782000e-08 -6.658042238e-07 -9.925654793e-07 5.52 -2.972677223e-08 -5.908226241e-07 -8.808033188e-07 5.54 -2.627987387e-08 -5.244734650e-07 -7.819030404e-07 5.56 -2.324090815e-08 -4.657409777e-07 -6.943574058e-07 5.58 -2.056060617e-08 -4.137315283e-07 -6.168314190e-07 5.60 -1.819577087e-08 -3.676586154e-07 -5.481530969e-07 5.62 -1.610851355e-08 -3.268297502e-07 -4.872905268e-07 5.64 -1.426558844e-08 -2.906349767e-07 -4.333347651e-07 5.66 -1.263781227e-08 -2.585368239e-07 -3.854848687e-07 5.68 -1.119955789e-08 -2.300615073e-07 -3.430347869e-07 5.70 -9.928312254e-09 -2.047912208e-07 -3.053618782e-07 5.72 -8.804290425e-09 -1.823573818e-07 -2.719168460e-07 5.74 -7.810098388e-09 -1.624347074e-07 -2.422149146e-07 5.76 -6.930438363e-09 -1.447360201e-07 -2.158280885e-07 5.78 -6.151851140e-09 -1.290076886e-07 -1.923783607e-07 5.80 -5.462490746e-09 -1.150256260e-07 -1.715317501e-07 5.82 -4.851927228e-09 -1.025917755e-07 -1.529930653e-07 5.84 -4.310974043e-09 -9.153102234e-08 -1.365013038e-07 5.86 -3.831536914e-09 -8.168848067e-08 -1.218256085e-07 5.88 -3.406481388e-09 -7.292710714e-08 -1.087617130e-07 5.90 -3.029516796e-09 -6.512560231e-08 -9.712881382e-08 5.92 -2.695094478e-09 -5.817656396e-08 -8.676681885e-08 5.94 -2.398318579e-09 -5.198486142e-08 -7.753392508e-08 5.96 -2.134867726e-09 -4.646620415e-08 -6.930448540e-08 5.98 -1.900926296e-09 -4.154588065e-08 -6.196712942e-08 6.00 -1.693124092e-09 -3.715764713e-08 -5.542310741e-08