# 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 = Co3Ti # 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 1.871490631e+02 nan nan 1.16 1.706269688e+02 nan nan 1.18 1.555414714e+02 nan nan 1.20 1.417607088e+02 nan nan 1.22 1.291660747e+02 nan nan 1.24 1.176510512e+02 nan nan 1.26 1.071195677e+02 nan nan 1.28 9.748418370e+01 1.592487716e+02 1.854864357e+02 1.30 8.866556936e+01 1.462065322e+02 1.707470383e+02 1.32 8.059238303e+01 1.342055787e+02 1.571600264e+02 1.34 7.320012835e+01 1.231572286e+02 1.446301953e+02 1.36 6.642978574e+01 1.129810631e+02 1.330712470e+02 1.38 6.022733519e+01 1.036048187e+02 1.224040790e+02 1.40 5.454382463e+01 9.496341976e+01 1.125560715e+02 1.42 4.933509269e+01 8.699769974e+01 1.034612225e+02 1.44 4.456100810e+01 7.965322042e+01 9.505990735e+01 1.46 4.018469461e+01 7.287969589e+01 8.729788903e+01 1.48 3.617212514e+01 6.663109611e+01 8.012530825e+01 1.50 3.249216870e+01 6.086577580e+01 7.349607682e+01 1.52 2.911682522e+01 5.554602132e+01 6.736765522e+01 1.54 2.602129866e+01 5.063728987e+01 6.170106428e+01 1.56 2.318409094e+01 4.610775362e+01 5.646076382e+01 1.58 2.058741862e+01 4.192816392e+01 5.161422606e+01 1.60 1.821242469e+01 3.807167814e+01 4.713147983e+01 1.62 1.604103888e+01 3.451353227e+01 4.298484416e+01 1.64 1.405639952e+01 3.123068240e+01 3.914876683e+01 1.66 1.224303903e+01 2.820155366e+01 3.559967801e+01 1.68 1.058693258e+01 2.540610346e+01 3.231589341e+01 1.70 9.075342426e+00 2.282635373e+01 2.927757016e+01 1.72 7.696558890e+00 2.044750420e+01 2.646663663e+01 1.74 6.439669400e+00 1.825426865e+01 2.386675283e+01 1.76 5.294450824e+00 1.623242694e+01 2.146441438e+01 1.78 4.251395502e+00 1.436899656e+01 1.924635048e+01 1.80 3.301776925e+00 1.265217812e+01 1.719926163e+01 1.82 2.437654770e+00 1.107131992e+01 1.531077856e+01 1.84 1.651823467e+00 9.616805793e+00 1.356929072e+01 1.86 9.377657202e-01 8.279860001e+00 1.196377372e+01 1.88 2.896256287e-01 7.052323010e+00 1.048372586e+01 1.90 -2.978363947e-01 5.926451561e+00 9.119262081e+00 1.92 -8.293242957e-01 4.894782042e+00 7.861291223e+00 1.94 -1.309097455e+00 3.950090159e+00 6.701632996e+00 1.96 -1.741044862e+00 3.085452366e+00 5.632989965e+00 1.98 -2.128739308e+00 2.294366515e+00 4.648812569e+00 2.00 -2.475483821e+00 1.570861713e+00 3.743142313e+00 2.02 -2.784356820e+00 9.095458037e-01 2.910489366e+00 2.04 -3.058253514e+00 3.055788732e-01 2.145763715e+00 2.06 -3.299919078e+00 -2.454029486e-01 1.444254059e+00 2.08 -3.511973826e+00 -7.473725810e-01 8.016292129e-01 2.10 -3.696932587e+00 -1.203977667e+00 2.139270017e-01 2.12 -3.857218790e+00 -1.618584569e+00 -3.224917538e-01 2.14 -3.995167250e+00 -1.994310069e+00 -8.110250171e-01 2.16 -4.113007441e+00 -2.334044950e+00 -1.254928609e+00 2.18 -4.212826692e+00 -2.640469813e+00 -1.657402870e+00 2.20 -4.296524709e+00 -2.916066941e+00 -2.021634686e+00 2.22 -4.365779115e+00 -3.163136000e+00 -2.350772139e+00 2.24 -4.422035147e+00 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-4.039500577e+00 -4.575839695e+00 -4.640566928e+00 2.62 -3.967098427e+00 -4.553581923e+00 -4.641762947e+00 2.64 -3.891957507e+00 -4.526642606e+00 -4.636649435e+00 2.66 -3.814559508e+00 -4.495390379e+00 -4.625616279e+00 2.68 -3.735386770e+00 -4.460069853e+00 -4.609033885e+00 2.70 -3.654900201e+00 -4.420783420e+00 -4.587183281e+00 2.72 -3.573517655e+00 -4.377606918e+00 -4.560259114e+00 2.74 -3.491600715e+00 -4.330640520e+00 -4.528464942e+00 2.76 -3.409452328e+00 -4.280011249e+00 -4.491905928e+00 2.78 -3.327322149e+00 -4.225872919e+00 -4.450641923e+00 2.80 -3.245415069e+00 -4.168403445e+00 -4.404818212e+00 2.82 -3.163899623e+00 -4.107800182e+00 -4.354670626e+00 2.84 -3.082916106e+00 -4.044275348e+00 -4.300523797e+00 2.86 -3.002584072e+00 -3.978051996e+00 -4.242781199e+00 2.88 -2.923008871e+00 -3.909361289e+00 -4.181903464e+00 2.90 -2.844286204e+00 -3.838441279e+00 -4.118375781e+00 2.92 -2.766503860e+00 -3.765537340e+00 -4.052670403e+00 2.94 -2.689741230e+00 -3.690904442e+00 -3.985213347e+00 2.96 -2.614066777e+00 -3.614811171e+00 -3.916363036e+00 2.98 -2.539536380e+00 -3.537544519e+00 -3.846404439e+00 3.00 -2.466192664e+00 -3.459413245e+00 -3.775555404e+00 3.02 -2.394066149e+00 -3.380746571e+00 -3.703981449e+00 3.04 -2.323177789e+00 -3.301885488e+00 -3.631812130e+00 3.06 -2.253542168e+00 -3.223166464e+00 -3.559155492e+00 3.08 -2.185170688e+00 -3.144899967e+00 -3.486108636e+00 3.10 -2.118074319e+00 -3.067350320e+00 -3.412764224e+00 3.12 -2.052265765e+00 -2.990721942e+00 -3.339213699e+00 3.14 -1.987761016e+00 -2.915155812e+00 -3.265548278e+00 3.16 -1.924580269e+00 -2.840735067e+00 -3.191858759e+00 3.18 -1.862748087e+00 -2.767497475e+00 -3.118234942e+00 3.20 -1.802292650e+00 -2.695449985e+00 -3.044765240e+00 3.22 -1.743243982e+00 -2.624582286e+00 -2.971536938e+00 3.24 -1.685631379e+00 -2.554877426e+00 -2.898636975e+00 3.26 -1.629480572e+00 -2.486318944e+00 -2.826153565e+00 3.28 -1.574811395e+00 -2.418894836e+00 -2.754178022e+00 3.30 -1.521636568e+00 -2.352599091e+00 -2.682806378e+00 3.32 -1.469961756e+00 -2.287431593e+00 -2.612140062e+00 3.34 -1.419786485e+00 -2.223397109e+00 -2.542285072e+00 3.36 -1.371105205e+00 -2.160503933e+00 -2.473349372e+00 3.38 -1.323907893e+00 -2.098762611e+00 -2.405438904e+00 3.40 -1.278180025e+00 -2.038185006e+00 -2.338653124e+00 3.42 -1.233902078e+00 -1.978783935e+00 -2.273081264e+00 3.44 -1.191049417e+00 -1.920573146e+00 -2.208800207e+00 3.46 -1.149591983e+00 -1.863567862e+00 -2.145874188e+00 3.48 -1.109495199e+00 -1.807785364e+00 -2.084355722e+00 3.50 -1.070720956e+00 -1.753245402e+00 -2.024286695e+00 3.52 -1.033228805e+00 -1.699970028e+00 -1.965699035e+00 3.54 -9.969770588e-01 -1.647982537e+00 -1.908613706e+00 3.56 -9.619236336e-01 -1.597305433e+00 -1.853039577e+00 3.58 -9.280265859e-01 -1.547957593e+00 -1.798971951e+00 3.60 -8.952443823e-01 -1.499951175e+00 -1.746391971e+00 3.62 -8.635359720e-01 -1.453288914e+00 -1.695267327e+00 3.64 -8.328607416e-01 -1.407962475e+00 -1.645554298e+00 3.66 -8.031784176e-01 -1.363952212e+00 -1.597200772e+00 3.68 -7.744489633e-01 -1.321228337e+00 -1.550149729e+00 3.70 -7.466324986e-01 -1.279753162e+00 -1.504342650e+00 3.72 -7.196892604e-01 -1.239483894e+00 -1.459722475e+00 3.74 -6.935796127e-01 -1.200375470e+00 -1.416235901e+00 3.76 -6.682641176e-01 -1.162383008e+00 -1.373834928e+00 3.78 -6.437036818e-01 -1.125463659e+00 -1.332477681e+00 3.80 -6.198598027e-01 -1.089577760e+00 -1.292128605e+00 3.82 -5.966949434e-01 -1.054689345e+00 -1.252758143e+00 3.84 -5.741730707e-01 -1.020766138e+00 -1.214342062e+00 3.86 -5.522603881e-01 -9.877791510e-01 -1.176860559e+00 3.88 -5.309262744e-01 -9.557020666e-01 -1.140297303e+00 3.90 -5.101444151e-01 -9.245105111e-01 -1.104638531e+00 3.92 -4.898940361e-01 -8.941813157e-01 -1.069872249e+00 3.94 -4.701612376e-01 -8.646919590e-01 -1.035987834e+00 3.96 -4.509399083e-01 -8.360199100e-01 -1.002975441e+00 3.98 -4.322324107e-01 -8.081423496e-01 -9.708260417e-01 4.00 -4.140494243e-01 -7.810359281e-01 -9.395313890e-01 4.02 -3.964088747e-01 -7.546767085e-01 -9.090841004e-01 4.04 -3.793338409e-01 -7.290402683e-01 -8.794777208e-01 4.06 -3.628495594e-01 -7.041019591e-01 -8.507066720e-01 4.08 -3.469798728e-01 -6.798373226e-01 -8.227660141e-01 4.10 -3.317436413e-01 -6.562225998e-01 -7.956509865e-01 4.12 -3.171516933e-01 -6.332356827e-01 -7.693563514e-01 4.14 -3.032048019e-01 -6.108565443e-01 -7.438756209e-01 4.16 -2.898929525e-01 -5.890683877e-01 -7.192002899e-01 4.18 -2.771959083e-01 -5.678584251e-01 -6.953192103e-01 4.20 -2.650848444e-01 -5.472185923e-01 -6.722182122e-01 4.22 -2.535246887e-01 -5.271459851e-01 -6.498800273e-01 4.24 -2.424767747e-01 -5.076428730e-01 -6.282845054e-01 4.26 -2.319014753e-01 -4.887161735e-01 -6.074090602e-01 4.28 -2.217605748e-01 -4.703763360e-01 -5.872292535e-01 4.30 -2.120192389e-01 -4.526356825e-01 -5.677194199e-01 4.32 -2.026475139e-01 -4.355063697e-01 -5.488532544e-01 4.34 -1.936213246e-01 -4.189982305e-01 -5.306043077e-01 4.36 -1.849229289e-01 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-8.012395998e-02 -2.018800773e-01 -2.693139701e-01 4.74 -7.657717272e-02 -1.935868063e-01 -2.585222141e-01 4.76 -7.315576147e-02 -1.854357440e-01 -2.478922502e-01 4.78 -6.984459653e-02 -1.774143690e-01 -2.374139850e-01 4.80 -6.663039477e-02 -1.695138605e-01 -2.270815991e-01 4.82 -6.350178006e-02 -1.617297717e-01 -2.168943189e-01 4.84 -6.044930643e-02 -1.540622037e-01 -2.068570735e-01 4.86 -5.746544550e-02 -1.465163132e-01 -1.969809308e-01 4.88 -5.454453406e-02 -1.391023681e-01 -1.872832048e-01 4.90 -5.168267649e-02 -1.318355652e-01 -1.777871321e-01 4.92 -4.887759830e-02 -1.247354993e-01 -1.685210528e-01 4.94 -4.612845322e-02 -1.178252640e-01 -1.595170817e-01 4.96 -4.343559478e-02 -1.111302075e-01 -1.508093318e-01 4.98 -4.080033187e-02 -1.046764243e-01 -1.424318232e-01 5.00 -3.822469417e-02 -9.848911056e-02 -1.344162777e-01 5.02 -3.571123456e-02 -9.259094240e-02 -1.267900302e-01 5.04 -3.326288967e-02 -8.700063958e-02 -1.195742835e-01 5.06 -3.088290757e-02 -8.173185548e-02 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-3.162690339e-02 -4.673904074e-02 5.44 -3.424093102e-03 -3.025625960e-02 -4.479015328e-02 5.46 -2.940773492e-03 -2.894017127e-02 -4.290689316e-02 5.48 -2.520945955e-03 -2.767064683e-02 -4.107964285e-02 5.50 -2.157610749e-03 -2.644066277e-02 -3.929991959e-02 5.52 -1.844180033e-03 -2.524409586e-02 -3.756030707e-02 5.54 -1.574555923e-03 -2.407567255e-02 -3.585439064e-02 5.56 -1.343173083e-03 -2.293093544e-02 -3.417682728e-02 5.58 -1.145012742e-03 -2.180622599e-02 -3.252320940e-02 5.60 -9.755949556e-04 -2.069868090e-02 -3.089018183e-02 5.62 -8.309553289e-04 -1.960623776e-02 -2.927544842e-02 5.64 -7.076115055e-04 -1.852764490e-02 -2.767780718e-02 5.66 -6.025236891e-04 -1.746246871e-02 -2.609717927e-02 5.68 -5.130524650e-04 -1.641109113e-02 -2.453462070e-02 5.70 -4.369163331e-04 -1.537468964e-02 -2.299230576e-02 5.72 -3.721506172e-04 -1.435519261e-02 -2.147347146e-02 5.74 -3.170688185e-04 -1.335520441e-02 -1.998231506e-02 5.76 -2.702270400e-04 -1.237789584e-02 -1.852383877e-02 5.78 -2.303917813e-04 -1.142676247e-02 -1.710349628e-02 5.80 -1.965111636e-04 -1.050563521e-02 -1.572720177e-02 5.82 -1.676894809e-04 -9.618489404e-03 -1.440106650e-02 5.84 -1.431648914e-04 -8.769164563e-03 -1.313097478e-02 5.86 -1.222899930e-04 -7.961172405e-03 -1.192229966e-02 5.88 -1.045150068e-04 -7.197525703e-03 -1.077964929e-02 5.90 -8.937328387e-05 -6.480600678e-03 -9.706663147e-03 5.92 -7.646886576e-05 -5.812042076e-03 -8.705871813e-03 5.94 -6.546583903e-05 -5.192715551e-03 -7.778627403e-03 5.96 -5.607924814e-05 -4.622707030e-03 -6.925104159e-03 5.98 -4.806735607e-05 -4.101364343e-03 -6.144362200e-03 6.00 -4.122506369e-05 -3.627373018e-03 -5.434462305e-03