# 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 = PdW3 # 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 5.540894089e+02 nan nan 1.16 5.089172497e+02 nan nan 1.18 4.675360622e+02 nan nan 1.20 4.295770990e+02 nan nan 1.22 3.947134889e+02 nan nan 1.24 3.626550879e+02 nan nan 1.26 3.331462180e+02 nan nan 1.28 3.059652036e+02 4.780811284e+02 5.498595706e+02 1.30 2.809217821e+02 4.421145479e+02 5.093551603e+02 1.32 2.578508587e+02 4.088899432e+02 4.718954614e+02 1.34 2.366046980e+02 3.781829469e+02 4.372286016e+02 1.36 2.170465377e+02 3.497877074e+02 4.051282613e+02 1.38 1.990469014e+02 3.235135404e+02 3.753917431e+02 1.40 1.824821962e+02 2.991843873e+02 3.478359686e+02 1.42 1.672347949e+02 2.766397207e+02 3.222928937e+02 1.44 1.531940165e+02 2.557351610e+02 2.986066815e+02 1.46 1.402574563e+02 2.363417097e+02 2.766332641e+02 1.48 1.283320169e+02 2.183437862e+02 2.562409871e+02 1.50 1.173341684e+02 2.016370909e+02 2.373106720e+02 1.52 1.071893589e+02 1.861270791e+02 2.197344018e+02 1.54 9.783080631e+01 1.717280467e+02 2.034134537e+02 1.56 8.919814656e+01 1.583623324e+02 1.882562764e+02 1.58 8.123644819e+01 1.459592381e+02 1.741772058e+02 1.60 7.389575100e+01 1.344536900e+02 1.610960657e+02 1.62 6.713080865e+01 1.237849392e+02 1.489383185e+02 1.64 6.090059361e+01 1.138955647e+02 1.376352600e+02 1.66 5.516741384e+01 1.047308606e+02 1.271238977e+02 1.68 4.989584265e+01 9.623857101e+01 1.173464759e+02 1.70 4.505178803e+01 8.836889038e+01 1.082498651e+02 1.72 4.060193414e+01 8.107461745e+01 9.978505942e+01 1.74 3.651361668e+01 7.431136662e+01 9.190688191e+01 1.76 3.275543488e+01 6.803777928e+01 8.457382411e+01 1.78 2.929915893e+01 6.221569359e+01 7.774786300e+01 1.80 2.611635536e+01 5.681023078e+01 7.139414656e+01 1.82 2.318326241e+01 5.178977404e+01 6.548057179e+01 1.84 2.048948870e+01 4.712584266e+01 5.997736089e+01 1.86 1.801370123e+01 4.279287307e+01 5.485671338e+01 1.88 1.573530959e+01 3.876791542e+01 5.009254141e+01 1.90 1.363651318e+01 3.503025870e+01 4.566026747e+01 1.92 1.170218030e+01 3.156174840e+01 4.153667412e+01 1.94 9.919517587e+00 2.834634268e+01 3.769980257e+01 1.96 8.277580288e+00 2.536802359e+01 3.412889538e+01 1.98 6.766744017e+00 2.262127902e+01 3.080531255e+01 2.00 5.378254721e+00 2.009414100e+01 2.771204054e+01 2.02 4.103916203e+00 1.777036240e+01 2.483227222e+01 2.04 2.935914273e+00 1.563443876e+01 2.216264957e+01 2.06 1.866745173e+00 1.367148573e+01 1.969316316e+01 2.08 8.892130659e-01 1.186718075e+01 1.740814491e+01 2.10 -3.531222151e-03 1.020778557e+01 1.529347249e+01 2.12 -8.179350380e-01 8.680256449e+00 1.333655366e+01 2.14 -1.559997799e+00 7.272423153e+00 1.152621054e+01 2.16 -2.235253945e+00 5.973189175e+00 9.852502311e+00 2.18 -2.848789960e+00 4.772691525e+00 8.306523840e+00 2.20 -3.405284792e+00 3.662369278e+00 6.880204667e+00 2.22 -3.909056527e+00 2.634920951e+00 5.566123611e+00 2.24 -4.364101878e+00 1.684165389e+00 4.357350506e+00 2.26 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2.62 -7.138200305e+00 -6.741775490e+00 -6.001362775e+00 2.64 -7.066533893e+00 -6.863901180e+00 -6.177665874e+00 2.66 -6.976283657e+00 -6.966679330e+00 -6.334745634e+00 2.68 -6.868093767e+00 -7.051279370e+00 -6.474051369e+00 2.70 -6.742771509e+00 -7.118806229e+00 -6.596988849e+00 2.72 -6.601307541e+00 -7.170306517e+00 -6.704876883e+00 2.74 -6.445192622e+00 -7.206429380e+00 -6.798961474e+00 2.76 -6.276054539e+00 -7.227453218e+00 -6.880416724e+00 2.78 -6.095316301e+00 -7.233651326e+00 -6.950335537e+00 2.80 -5.904683976e+00 -7.225190727e+00 -7.009708578e+00 2.82 -5.706101600e+00 -7.202306957e+00 -7.059073933e+00 2.84 -5.501670569e+00 -7.165329045e+00 -7.098415691e+00 2.86 -5.293552520e+00 -7.114672790e+00 -7.127725758e+00 2.88 -5.083941608e+00 -7.050840734e+00 -7.147023997e+00 2.90 -4.874892317e+00 -6.974426297e+00 -7.156335130e+00 2.92 -4.668161610e+00 -6.886118514e+00 -7.155672892e+00 2.94 -4.465149491e+00 -6.786703315e+00 -7.145029755e+00 2.96 -4.266881385e+00 -6.677428887e+00 -7.124371160e+00 2.98 -4.074030115e+00 -6.559390535e+00 -7.093633729e+00 3.00 -3.886969075e+00 -6.433236014e+00 -7.052727174e+00 3.02 -3.705844078e+00 -6.299700384e+00 -7.001539592e+00 3.04 -3.530650332e+00 -6.159563127e+00 -6.939945586e+00 3.06 -3.361302593e+00 -6.013601470e+00 -6.867886180e+00 3.08 -3.197689934e+00 -5.862578288e+00 -6.785579255e+00 3.10 -3.039710749e+00 -5.707263478e+00 -6.692797939e+00 3.12 -2.887287723e+00 -5.548300247e+00 -6.589288257e+00 3.14 -2.740365993e+00 -5.386175290e+00 -6.474852592e+00 3.16 -2.598899977e+00 -5.221227203e+00 -6.349351787e+00 3.18 -2.462835255e+00 -5.053666233e+00 -6.212706816e+00 3.20 -2.332091438e+00 -4.883602453e+00 -6.064904264e+00 3.22 -2.206550483e+00 -4.711079316e+00 -5.906062153e+00 3.24 -2.086052875e+00 -4.536109921e+00 -5.736433953e+00 3.26 -1.970402047e+00 -4.358713887e+00 -5.556360145e+00 3.28 -1.859375752e+00 -4.178953194e+00 -5.366284884e+00 3.30 -1.752742051e+00 -3.996965624e+00 -5.166779184e+00 3.32 -1.650277166e+00 -3.812994410e+00 -4.958566292e+00 3.34 -1.551782527e+00 -3.627412489e+00 -4.742546379e+00 3.36 -1.457098804e+00 -3.440739486e+00 -4.519816678e+00 3.38 -1.366115324e+00 -3.253649438e+00 -4.291682726e+00 3.40 -1.278773948e+00 -3.066967396e+00 -4.059656474e+00 3.42 -1.195067212e+00 -2.881653668e+00 -3.825437976e+00 3.44 -1.115031129e+00 -2.698775492e+00 -3.590879032e+00 3.46 -1.038733642e+00 -2.519467309e+00 -3.357929441e+00 3.48 -9.662601562e-01 -2.344882373e+00 -3.128569028e+00 3.50 -8.976978183e-01 -2.176139752e+00 -2.904730915e+00 3.52 -8.331202816e-01 -2.014271654e+00 -2.688223111e+00 3.54 -7.725745013e-01 -1.860176135e+00 -2.480656047e+00 3.56 -7.160707462e-01 -1.714579572e+00 -2.283383035e+00 3.58 -6.635765042e-01 -1.578011981e+00 -2.097458860e+00 3.60 -6.150144217e-01 -1.450796481e+00 -1.923619213e+00 3.62 -5.702639221e-01 -1.333052481e+00 -1.762281004e+00 3.64 -5.291658349e-01 -1.224710647e+00 -1.613561181e+00 3.66 -4.915291045e-01 -1.125536730e+00 -1.477309973e+00 3.68 -4.571386115e-01 -1.035160920e+00 -1.353153657e+00 3.70 -4.257632880e-01 -9.531094874e-01 -1.240541882e+00 3.72 -3.971637481e-01 -8.788359651e-01 -1.138795234e+00 3.74 -3.710992690e-01 -8.117498101e-01 -1.047149676e+00 3.76 -3.473335513e-01 -7.512412250e-01 -9.647956314e-01 3.78 -3.256389074e-01 -6.967015032e-01 -8.909105066e-01 3.80 -3.057994686e-01 -6.475387990e-01 -8.246843426e-01 3.82 -2.876132636e-01 -6.031896195e-01 -7.653388835e-01 3.84 -2.708933454e-01 -5.631265651e-01 -7.121407785e-01 3.86 -2.554681603e-01 -5.268629650e-01 -6.644098264e-01 3.88 -2.411813498e-01 -4.939550706e-01 -6.215232333e-01 3.90 -2.278911599e-01 -4.640024261e-01 -5.829168103e-01 3.92 -2.154696099e-01 -4.366469582e-01 -5.480839319e-01 3.94 -2.038015489e-01 -4.115712249e-01 -5.165729503e-01 3.96 -1.927837024e-01 -3.884961643e-01 -4.879836193e-01 3.98 -1.823237944e-01 -3.671785762e-01 -4.619629610e-01 4.00 -1.723398065e-01 -3.474084949e-01 -4.382008945e-01 4.02 -1.627594205e-01 -3.290065267e-01 -4.164258545e-01 4.04 -1.535196716e-01 -3.118211539e-01 -3.964005449e-01 4.06 -1.445668209e-01 -2.957259508e-01 -3.779179538e-01 4.08 -1.358564323e-01 -2.806167037e-01 -3.607976670e-01 4.10 -1.273536113e-01 -2.664083452e-01 -3.448825027e-01 4.12 -1.190333357e-01 -2.530317896e-01 -3.300354687e-01 4.14 -1.108807738e-01 -2.404308965e-01 -3.161370603e-01 4.16 -1.028914589e-01 -2.285590249e-01 -3.030827718e-01 4.18 -9.507117382e-02 -2.173760011e-01 -2.907811794e-01 4.20 -8.743539927e-02 -2.068454497e-01 -2.791520792e-01 4.22 -8.000821420e-02 -1.969326228e-01 -2.681247426e-01 4.24 -7.282059320e-02 -1.876028250e-01 -2.576365362e-01 4.26 -6.590813714e-02 -1.788204557e-01 -2.476317217e-01 4.28 -5.930837095e-02 -1.705486194e-01 -2.380604162e-01 4.30 -5.305783589e-02 -1.627491956e-01 -2.288776988e-01 4.32 -4.718926340e-02 -1.553832315e-01 -2.200428501e-01 4.34 -4.172912283e-02 -1.484114972e-01 -2.115187104e-01 4.36 -3.669579941e-02 -1.417949115e-01 -2.032711501e-01 4.38 -3.209855615e-02 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-5.487721941e-07 -2.861955543e-05 -4.283301411e-05 5.82 -4.796040477e-07 -2.487292730e-05 -3.722548970e-05 5.84 -4.193894829e-07 -2.162868068e-05 -3.236990002e-05 5.86 -3.669390392e-07 -1.881788662e-05 -2.816307243e-05 5.88 -3.212253053e-07 -1.638128021e-05 -2.451629996e-05 5.90 -2.813602947e-07 -1.426787864e-05 -2.135327262e-05 5.92 -2.465760565e-07 -1.243380023e-05 -1.860830965e-05 5.94 -2.162080483e-07 -1.084125490e-05 -1.622484833e-05 5.96 -1.896808655e-07 -9.457680803e-06 -1.415415168e-05 5.98 -1.664959885e-07 -8.255005646e-06 -1.235420269e-05 6.00 -1.462212550e-07 -7.209014385e-06 -1.078875789e-05