# 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 = PtZr3 # 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 5.446272298e+02 nan nan 1.16 5.064197831e+02 nan nan 1.18 4.711037469e+02 nan nan 1.20 4.384239712e+02 nan nan 1.22 4.081488308e+02 nan nan 1.24 3.800727640e+02 nan nan 1.26 3.540146066e+02 nan nan 1.28 3.298131589e+02 4.818426548e+02 5.428898807e+02 1.30 3.073210792e+02 4.509643247e+02 5.087858867e+02 1.32 2.864006069e+02 4.221703584e+02 4.769730010e+02 1.34 2.669232731e+02 3.953060944e+02 4.472702206e+02 1.36 2.487715848e+02 3.702344095e+02 4.195113760e+02 1.38 2.318400754e+02 3.468275300e+02 3.935464991e+02 1.40 2.160353104e+02 3.249617038e+02 3.692440221e+02 1.42 2.012749020e+02 3.045184909e+02 3.464890386e+02 1.44 1.874857313e+02 2.853885858e+02 3.251779114e+02 1.46 1.746025097e+02 2.674736584e+02 3.052130575e+02 1.48 1.625659131e+02 2.506858369e+02 2.865009628e+02 1.50 1.513201374e+02 2.349467953e+02 2.689526312e+02 1.52 1.408113685e+02 2.201866055e+02 2.524858854e+02 1.54 1.309875910e+02 2.063417493e+02 2.370274169e+02 1.56 1.217990069e+02 1.933525947e+02 2.225120119e+02 1.58 1.131984338e+02 1.811613872e+02 2.088793548e+02 1.60 1.051416852e+02 1.697118405e+02 1.960711345e+02 1.62 9.758852440e+01 1.589501189e+02 1.840306156e+02 1.64 9.050309613e+01 1.488264738e+02 1.727041640e+02 1.66 8.385363226e+01 1.392963895e+02 1.620425773e+02 1.68 7.761160986e+01 1.303209738e+02 1.520013224e+02 1.70 7.175118288e+01 1.218662625e+02 1.425402417e+02 1.72 6.624891239e+01 1.139020146e+02 1.336231940e+02 1.74 6.108337502e+01 1.064002591e+02 1.252177195e+02 1.76 5.623444956e+01 9.933413137e+01 1.172943364e+02 1.78 5.168239269e+01 9.267736496e+01 1.098254882e+02 1.80 4.740733640e+01 8.640458781e+01 1.027843374e+02 1.82 4.338955852e+01 8.049189554e+01 9.614409462e+01 1.84 3.961018209e+01 7.491734738e+01 8.987807191e+01 1.86 3.605205832e+01 6.966090111e+01 8.396059183e+01 1.88 3.270044044e+01 6.470380089e+01 7.836791353e+01 1.90 2.954374729e+01 6.002795133e+01 7.307882935e+01 1.92 2.657551310e+01 5.561563016e+01 6.807470403e+01 1.94 2.382432437e+01 5.144960741e+01 6.333898130e+01 1.96 2.128366581e+01 4.751358528e+01 5.885665854e+01 1.98 1.893792912e+01 4.379251712e+01 5.461377691e+01 2.00 1.677261192e+01 4.027274612e+01 5.059712813e+01 2.02 1.477432886e+01 3.694193640e+01 4.679410668e+01 2.04 1.293081039e+01 3.378894000e+01 4.319269364e+01 2.06 1.123072884e+01 3.080441495e+01 3.978156268e+01 2.08 9.663609386e+00 2.797984207e+01 3.655013520e+01 2.10 8.219709652e+00 2.531966729e+01 3.348866025e+01 2.12 6.889935419e+00 2.284668447e+01 3.058889773e+01 2.14 5.665798636e+00 2.055046694e+01 2.784300939e+01 2.16 4.539390854e+00 1.841929801e+01 2.525769473e+01 2.18 3.503440097e+00 1.644182417e+01 2.285107412e+01 2.20 2.551244381e+00 1.460713387e+01 2.061146317e+01 2.22 1.676659874e+00 1.290487295e+01 1.852710117e+01 2.24 8.740223551e-01 1.132536840e+01 1.658706419e+01 2.26 1.380917524e-01 9.859704705e+00 1.478129000e+01 2.28 -5.359891504e-01 8.499769834e+00 1.310055251e+01 2.30 -1.152704543e+00 7.238221563e+00 1.153644623e+01 2.32 -1.716184763e+00 6.068458592e+00 1.008131613e+01 2.34 -2.230236313e+00 4.984503847e+00 8.728202212e+00 2.36 -2.698351663e+00 3.980913566e+00 7.470763643e+00 2.38 -3.123772543e+00 3.052670864e+00 6.303191027e+00 2.40 -3.509517204e+00 2.195101375e+00 5.220079503e+00 2.42 -3.858413712e+00 1.403796304e+00 4.216319776e+00 2.44 -4.173115951e+00 6.745681489e-01 3.286999270e+00 2.46 -4.456107764e+00 3.395988877e-03 2.427350109e+00 2.48 -4.709701329e+00 -6.136064542e-01 1.632748883e+00 2.50 -4.936035405e+00 -1.180209959e+00 8.987333402e-01 2.52 -5.137077289e+00 -1.700069096e+00 2.210707199e-01 2.54 -5.314626373e+00 -2.176699516e+00 -4.042194648e-01 2.56 -5.470346372e+00 -2.613436808e+00 -9.808347879e-01 2.58 -5.605754733e+00 -3.013388007e+00 -1.512179505e+00 2.60 -5.722267640e+00 -3.379391802e+00 -2.001366077e+00 2.62 -5.821213907e+00 -3.713998980e+00 -2.451223259e+00 2.64 -5.903865263e+00 -4.019491256e+00 -2.864319641e+00 2.66 -5.971444482e+00 -4.297897882e+00 -3.242976978e+00 2.68 -6.025146645e+00 -4.551047646e+00 -3.589310335e+00 2.70 -6.066173339e+00 -4.780607259e+00 -3.905265802e+00 2.72 -6.096118247e+00 -4.988114692e+00 -4.192664396e+00 2.74 -6.117013383e+00 -5.175001622e+00 -4.453245804e+00 2.76 -6.129563828e+00 -5.342605434e+00 -4.688706920e+00 2.78 -6.134354081e+00 -5.492170218e+00 -4.900728861e+00 2.80 -6.131987529e+00 -5.624862962e+00 -5.090992639e+00 2.82 -6.123056874e+00 -5.741751421e+00 -5.261166435e+00 2.84 -6.108138701e+00 -5.843827089e+00 -5.412884627e+00 2.86 -6.087772069e+00 -5.932010200e+00 -5.547709111e+00 2.88 -6.062380644e+00 -6.007162992e+00 -5.667089572e+00 2.90 -6.032040783e+00 -6.070104670e+00 -5.772332627e+00 2.92 -5.996787510e+00 -6.121625929e+00 -5.864587549e+00 2.94 -5.956696693e+00 -6.162566689e+00 -5.944850193e+00 2.96 -5.911860329e+00 -6.193803347e+00 -6.013973090e+00 2.98 -5.862397864e+00 -6.217013079e+00 -6.072724524e+00 3.00 -5.808451957e+00 -6.232871125e+00 -6.121760711e+00 3.02 -5.750187845e+00 -6.241722694e+00 -6.161701418e+00 3.04 -5.687792112e+00 -6.243927848e+00 -6.193259349e+00 3.06 -5.621470963e+00 -6.239864922e+00 -6.217595901e+00 3.08 -5.551448286e+00 -6.229889110e+00 -6.235339827e+00 3.10 -5.477963624e+00 -6.214347879e+00 -6.246690792e+00 3.12 -5.401269814e+00 -6.193562406e+00 -6.251889701e+00 3.14 -5.321629728e+00 -6.167734554e+00 -6.251212098e+00 3.16 -5.239311481e+00 -6.136948047e+00 -6.244959817e+00 3.18 -5.154581903e+00 -6.101251419e+00 -6.233450669e+00 3.20 -5.067698873e+00 -6.060709483e+00 -6.217005150e+00 3.22 -4.978904054e+00 -6.015437702e+00 -6.195921486e+00 3.24 -4.888418105e+00 -5.965601379e+00 -6.170286795e+00 3.26 -4.796440144e+00 -5.911415492e+00 -6.140107618e+00 3.28 -4.703152229e+00 -5.853143758e+00 -6.105421908e+00 3.30 -4.608728196e+00 -5.791094443e+00 -6.066294682e+00 3.32 -4.513344890e+00 -5.725610808e+00 -6.022815189e+00 3.34 -4.417189523e+00 -5.657055868e+00 -5.975095970e+00 3.36 -4.320481542e+00 -5.585793468e+00 -5.923272637e+00 3.38 -4.223451214e+00 -5.512169526e+00 -5.867503370e+00 3.40 -4.126350897e+00 -5.436495694e+00 -5.807967451e+00 3.42 -4.029436004e+00 -5.359048544e+00 -5.744862458e+00 3.44 -3.932967990e+00 -5.280057192e+00 -5.678400129e+00 3.46 -3.837175102e+00 -5.199715648e+00 -5.608801357e+00 3.48 -3.742261778e+00 -5.118187822e+00 -5.536291165e+00 3.50 -3.648394979e+00 -5.035615206e+00 -5.461086388e+00 3.52 -3.555721872e+00 -4.952123467e+00 -5.383429073e+00 3.54 -3.464344508e+00 -4.867827232e+00 -5.303531658e+00 3.56 -3.374343723e+00 -4.782833004e+00 -5.221620033e+00 3.58 -3.285777789e+00 -4.697240543e+00 -5.137928390e+00 3.60 -3.198686076e+00 -4.611143202e+00 -5.052704685e+00 3.62 -3.113103579e+00 -4.524627729e+00 -4.966214056e+00 3.64 -3.029092880e+00 -4.437773962e+00 -4.878738199e+00 3.66 -2.946705329e+00 -4.350654787e+00 -4.790569511e+00 3.68 -2.865973265e+00 -4.263336616e+00 -4.702000203e+00 3.70 -2.786914240e+00 -4.175880611e+00 -4.613308147e+00 3.72 -2.709534425e+00 -4.088344722e+00 -4.524742360e+00 3.74 -2.633831195e+00 -4.000786574e+00 -4.436511313e+00 3.76 -2.559794970e+00 -3.913267003e+00 -4.348776410e+00 3.78 -2.487410488e+00 -3.825853924e+00 -4.261651557e+00 3.80 -2.416657679e+00 -3.738625962e+00 -4.175208144e+00 3.82 -2.347512297e+00 -3.651675136e+00 -4.089483703e+00 3.84 -2.279946402e+00 -3.565107823e+00 -4.004492120e+00 3.86 -2.213928768e+00 -3.479043389e+00 -3.920233538e+00 3.88 -2.149425236e+00 -3.393610218e+00 -3.836702681e+00 3.90 -2.086399017e+00 -3.308939465e+00 -3.753895000e+00 3.92 -2.024807198e+00 -3.225153183e+00 -3.671804750e+00 3.94 -1.964616566e+00 -3.142377626e+00 -3.590451249e+00 3.96 -1.905778971e+00 -3.060732547e+00 -3.509840859e+00 3.98 -1.848248843e+00 -2.980329308e+00 -3.429993376e+00 4.00 -1.791978596e+00 -2.901248887e+00 -3.350933536e+00 4.02 -1.736918741e+00 -2.823544600e+00 -3.272689459e+00 4.04 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-2.048093615e+00 4.40 -8.743733450e-01 -1.626009795e+00 -1.991040875e+00 4.42 -8.395316303e-01 -1.578187964e+00 -1.935111679e+00 4.44 -8.061296896e-01 -1.531747606e+00 -1.880303116e+00 4.46 -7.741923625e-01 -1.486629532e+00 -1.826613558e+00 4.48 -7.437237356e-01 -1.442771862e+00 -1.774041246e+00 4.50 -7.147078478e-01 -1.400111321e+00 -1.722582488e+00 4.52 -6.871106831e-01 -1.358584346e+00 -1.672214612e+00 4.54 -6.608830514e-01 -1.318128009e+00 -1.622957394e+00 4.56 -6.359639217e-01 -1.278680831e+00 -1.574772545e+00 4.58 -6.122838388e-01 -1.240183536e+00 -1.527632917e+00 4.60 -5.897681171e-01 -1.202579785e+00 -1.481504551e+00 4.62 -5.683396227e-01 -1.165816950e+00 -1.436348044e+00 4.64 -5.479210435e-01 -1.129846941e+00 -1.392120707e+00 4.66 -5.284366272e-01 -1.094627093e+00 -1.348779276e+00 4.68 -5.098134196e-01 -1.060121087e+00 -1.306282922e+00 4.70 -4.919820700e-01 -1.026299866e+00 -1.264596275e+00 4.72 -4.748772827e-01 -9.931424562e-01 -1.223692210e+00 4.74 -4.584379995e-01 -9.606366158e-01 -1.183554145e+00 4.76 -4.426073875e-01 -9.287791859e-01 -1.144177666e+00 4.78 -4.273327008e-01 -8.975760503e-01 -1.105571309e+00 4.80 -4.125650722e-01 -8.670329263e-01 -1.067756399e+00 4.82 -3.982592820e-01 -8.371905098e-01 -1.030765906e+00 4.84 -3.843735406e-01 -8.080661642e-01 -9.946423823e-01 4.86 -3.708693176e-01 -7.796915402e-01 -9.594350956e-01 4.88 -3.577112410e-01 -7.520997806e-01 -9.251966131e-01 4.90 -3.448670861e-01 -7.253230319e-01 -8.919791170e-01 4.92 -3.323078672e-01 -6.993900300e-01 -8.598307897e-01 4.94 -3.200080387e-01 -6.743239677e-01 -8.287925872e-01 4.96 -3.079458014e-01 -6.501408141e-01 -7.988956668e-01 4.98 -2.961034984e-01 -6.268482029e-01 -7.701596448e-01 5.00 -2.844680722e-01 -6.044449302e-01 -7.425917556e-01 5.02 -2.730315337e-01 -5.829210394e-01 -7.161868776e-01 5.04 -2.617913813e-01 -5.622584092e-01 -6.909283061e-01 5.06 -2.507508930e-01 -5.424317266e-01 -6.667890967e-01 5.08 -2.399192041e-01 -5.234097116e-01 -6.437337788e-01 5.10 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-3.617817317e-01 5.46 -9.747971577e-02 -2.666455683e-01 -3.510711506e-01 5.48 -9.346797077e-02 -2.569131379e-01 -3.407044584e-01 5.50 -8.968777594e-02 -2.475060148e-01 -3.306647489e-01 5.52 -8.611838678e-02 -2.384281787e-01 -3.209362368e-01 5.54 -8.274094373e-02 -2.296827914e-01 -3.114994035e-01 5.56 -7.953855604e-02 -2.212714772e-01 -3.023504277e-01 5.58 -7.649628319e-02 -2.131937560e-01 -2.934705745e-01 5.60 -7.360103576e-02 -2.054466657e-01 -2.848472813e-01 5.62 -7.084141598e-02 -1.980245870e-01 -2.764685215e-01 5.64 -6.820751696e-02 -1.909192643e-01 -2.683227206e-01 5.66 -6.569069799e-02 -1.841199942e-01 -2.603986789e-01 5.68 -6.328335182e-02 -1.776139414e-01 -2.526855032e-01 5.70 -6.097867851e-02 -1.713865359e-01 -2.451725444e-01 5.72 -5.877047761e-02 -1.654219070e-01 -2.378493426e-01 5.74 -5.665296811e-02 -1.597033145e-01 -2.307055780e-01 5.76 -5.462064217e-02 -1.542135475e-01 -2.237310290e-01 5.78 -5.266815283e-02 -1.489352718e-01 -2.169155367e-01 5.80 -5.079024256e-02 -1.438513161e-01 -2.102489772e-01 5.82 -4.898170604e-02 -1.389448950e-01 -2.037212414e-01 5.84 -4.723736681e-02 -1.341997730e-01 -1.973222254e-01 5.86 -4.555208314e-02 -1.296003781e-01 -1.910418309e-01 5.88 -4.392077062e-02 -1.251318749e-01 -1.848699785e-01 5.90 -4.233893876e-02 -1.207802081e-01 -1.787966356e-01 5.92 -4.080169907e-02 -1.165321280e-01 -1.728118621e-01 5.94 -3.930392436e-02 -1.123752066e-01 -1.669058745e-01 5.96 -3.784087519e-02 -1.082978543e-01 -1.610691327e-01 5.98 -3.640817384e-02 -1.042893430e-01 -1.552924515e-01 6.00 -3.500179659e-02 -1.003398432e-01 -1.495671373e-01