# 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 = MoNi3 # 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 1.649973747e+02 nan nan 1.16 1.501928392e+02 nan nan 1.18 1.366928964e+02 nan nan 1.20 1.243812557e+02 nan nan 1.22 1.131498487e+02 nan nan 1.24 1.028966268e+02 nan nan 1.26 9.352705449e+01 nan nan 1.28 8.495657391e+01 1.400696461e+02 1.637280976e+02 1.30 7.711063219e+01 1.284592988e+02 1.505731868e+02 1.32 6.992301796e+01 1.177842612e+02 1.384430008e+02 1.34 6.333484147e+01 1.079586542e+02 1.272498197e+02 1.36 5.729452804e+01 9.890486631e+01 1.169157900e+02 1.38 5.175757028e+01 9.055474786e+01 1.073717815e+02 1.40 4.668512451e+01 8.284879303e+01 9.855603546e+01 1.42 4.204185317e+01 7.573484790e+01 9.041271558e+01 1.44 3.779402770e+01 6.916685380e+01 8.289071269e+01 1.46 3.390857968e+01 6.310341388e+01 7.594295749e+01 1.48 3.035329764e+01 5.750640726e+01 6.952583081e+01 1.50 2.709783299e+01 5.234019645e+01 6.359845595e+01 1.52 2.411601214e+01 4.757168500e+01 5.812240870e+01 1.54 2.138599778e+01 4.317078707e+01 5.306208106e+01 1.56 1.888649985e+01 3.911049145e+01 4.838508686e+01 1.58 1.659865126e+01 3.536627526e+01 4.406218014e+01 1.60 1.450538626e+01 3.191543341e+01 4.006683530e+01 1.62 1.259100380e+01 2.873684721e+01 3.637480879e+01 1.64 1.084096207e+01 2.581108199e+01 3.296371762e+01 1.66 9.241840818e+00 2.312221754e+01 2.981254942e+01 1.68 7.781429695e+00 2.065450477e+01 2.690120859e+01 1.70 6.448844121e+00 1.839162208e+01 2.421189733e+01 1.72 5.234521120e+00 1.631753435e+01 2.172852196e+01 1.74 4.130039881e+00 1.441632506e+01 1.943453264e+01 1.76 3.127847776e+00 1.267236875e+01 1.731562233e+01 1.78 2.221004753e+00 1.107078659e+01 1.535959967e+01 1.80 1.402997727e+00 9.598001392e+00 1.355580161e+01 1.82 6.676154271e-01 8.242178721e+00 1.189447397e+01 1.84 8.855386572e-03 6.993396149e+00 1.036636785e+01 1.86 -5.791573745e-01 5.843493934e+00 8.962593798e+00 1.88 -1.102244887e+00 4.785690287e+00 7.674625774e+00 1.90 -1.566230949e+00 3.814121456e+00 6.494316791e+00 1.92 -1.976949421e+00 2.923449053e+00 5.413849725e+00 1.94 -2.340183560e+00 2.108605741e+00 4.425631492e+00 1.96 -2.661538099e+00 1.364682458e+00 3.522188747e+00 1.98 -2.946272041e+00 6.869153604e-01 2.696131172e+00 2.00 -3.199130651e+00 7.071180382e-02 1.940231142e+00 2.02 -3.424211873e+00 -4.883336114e-01 1.247628118e+00 2.04 -3.624894908e+00 -9.944484941e-01 6.121021318e-01 2.06 -3.803847251e+00 -1.451703442e+00 2.830662930e-02 2.08 -3.963107852e+00 -1.864021194e+00 -5.081409130e-01 2.10 -4.104222379e+00 -2.235160313e+00 -1.000737014e+00 2.12 -4.228353243e+00 -2.568674739e+00 -1.452284981e+00 2.14 -4.336341711e+00 -2.867863136e+00 -1.865121102e+00 2.16 -4.429296468e+00 -3.135727931e+00 -2.241315705e+00 2.18 -4.508269592e+00 -3.374961166e+00 -2.582825569e+00 2.20 -4.574251628e+00 -3.587963848e+00 -2.891594885e+00 2.22 -4.628206764e+00 -3.776892245e+00 -3.169606742e+00 2.24 -4.671081938e+00 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-4.243612829e+00 -4.818980275e+00 -4.839958406e+00 2.62 -4.179976325e+00 -4.798271948e+00 -4.826006760e+00 2.64 -4.113496269e+00 -4.772386554e+00 -4.808260137e+00 2.66 -4.044235761e+00 -4.741466799e+00 -4.787320461e+00 2.68 -3.972250911e+00 -4.705535893e+00 -4.763654058e+00 2.70 -3.897593790e+00 -4.664552598e+00 -4.737590287e+00 2.72 -3.820313907e+00 -4.618586657e+00 -4.709310387e+00 2.74 -3.740458927e+00 -4.567811464e+00 -4.678646847e+00 2.76 -3.658075160e+00 -4.512480392e+00 -4.645328471e+00 2.78 -3.573208223e+00 -4.452897056e+00 -4.609152841e+00 2.80 -3.485904181e+00 -4.389384047e+00 -4.569985150e+00 2.82 -3.396211553e+00 -4.322256645e+00 -4.527751047e+00 2.84 -3.304184609e+00 -4.251806910e+00 -4.482426601e+00 2.86 -3.209888415e+00 -4.178300141e+00 -4.434027097e+00 2.88 -3.113405933e+00 -4.101981696e+00 -4.382595981e+00 2.90 -3.014847195e+00 -4.023089656e+00 -4.328194835e+00 2.92 -2.914360145e+00 -3.941868311e+00 -4.270894873e+00 2.94 -2.812142283e+00 -3.858578438e+00 -4.210770261e+00 2.96 -2.708451777e+00 -3.773502048e+00 -4.147893371e+00 2.98 -2.603616388e+00 -3.686940888e+00 -4.082332057e+00 3.00 -2.498038400e+00 -3.599209320e+00 -4.014148946e+00 3.02 -2.392193877e+00 -3.510623124e+00 -3.943402702e+00 3.04 -2.286624972e+00 -3.421486321e+00 -3.870151112e+00 3.06 -2.181924802e+00 -3.332078218e+00 -3.794455686e+00 3.08 -2.078715423e+00 -3.242642622e+00 -3.716387219e+00 3.10 -1.977620610e+00 -3.153380547e+00 -3.636031487e+00 3.12 -1.879236117e+00 -3.064447070e+00 -3.553493973e+00 3.14 -1.784100712e+00 -2.975952245e+00 -3.468902457e+00 3.16 -1.692671243e+00 -2.887965493e+00 -3.382406543e+00 3.18 -1.605304359e+00 -2.800522614e+00 -3.294173919e+00 3.20 -1.522246439e+00 -2.713634507e+00 -3.204384131e+00 3.22 -1.443631958e+00 -2.627296769e+00 -3.113221641e+00 3.24 -1.369489430e+00 -2.541499537e+00 -3.020870433e+00 3.26 -1.299753189e+00 -2.456237039e+00 -2.927512102e+00 3.28 -1.234278905e+00 -2.371516466e+00 -2.833328365e+00 3.30 -1.172860774e+00 -2.287365771e+00 -2.738507565e+00 3.32 -1.115248584e+00 -2.203840016e+00 -2.643253662e+00 3.34 -1.061163387e+00 -2.121025833e+00 -2.547795536e+00 3.36 -1.010311014e+00 -2.039043584e+00 -2.452394451e+00 3.38 -9.623931201e-01 -1.958046842e+00 -2.357347949e+00 3.40 -9.171158621e-01 -1.878218985e+00 -2.262989089e+00 3.42 -8.741965189e-01 -1.799766914e+00 -2.169680740e+00 3.44 -8.333685465e-01 -1.722912239e+00 -2.077805322e+00 3.46 -7.943855761e-01 -1.647880591e+00 -1.987751036e+00 3.48 -7.570248343e-01 -1.574889995e+00 -1.899896081e+00 3.50 -7.210903396e-01 -1.504139391e+00 -1.814592586e+00 3.52 -6.864160477e-01 -1.435798412e+00 -1.732151967e+00 3.54 -6.528688754e-01 -1.369999327e+00 -1.652833141e+00 3.56 -6.203512633e-01 -1.306831792e+00 -1.576834568e+00 3.58 -5.888026787e-01 -1.246340666e+00 -1.504290553e+00 3.60 -5.581992966e-01 -1.188526813e+00 -1.435271645e+00 3.62 -5.285511145e-01 -1.133350516e+00 -1.369788582e+00 3.64 -4.998960217e-01 -1.080736954e+00 -1.307798919e+00 3.66 -4.722908820e-01 -1.030583123e+00 -1.249215359e+00 3.68 -4.458003758e-01 -9.827656157e-01 -1.193914872e+00 3.70 -4.204850069e-01 -9.371487305e-01 -1.141747802e+00 3.72 -3.963900515e-01 -8.935924785e-01 -1.092546361e+00 3.74 -3.735371553e-01 -8.519601236e-01 -1.046132134e+00 3.76 -3.519197640e-01 -8.121249146e-01 -1.002322357e+00 3.78 -3.315027747e-01 -7.739756652e-01 -9.609349432e-01 3.80 -3.122259906e-01 -7.374208120e-01 -9.217922800e-01 3.82 -2.940103738e-01 -7.023905824e-01 -8.847239288e-01 3.84 -2.767658436e-01 -6.688369712e-01 -8.495683793e-01 3.86 -2.603994165e-01 -6.367314018e-01 -8.161740268e-01 3.88 -2.448227211e-01 -6.060602266e-01 -7.843995345e-01 3.90 -2.299582135e-01 -5.768185674e-01 -7.541137319e-01 3.92 -2.157436799e-01 -5.490033117e-01 -7.251951735e-01 3.94 -2.021348030e-01 -5.226062661e-01 -6.975314691e-01 3.96 -1.891057185e-01 -4.976084404e-01 -6.710184671e-01 3.98 -1.766476210e-01 -4.739761938e-01 -6.455593617e-01 4.00 -1.647656384e-01 -4.516595750e-01 -6.210637756e-01 4.02 -1.534743684e-01 -4.305927713e-01 -5.974468578e-01 4.04 -1.427926523e-01 -4.106962332e-01 -5.746284309e-01 4.06 -1.327382682e-01 -3.918798662e-01 -5.525322132e-01 4.08 -1.233232347e-01 -3.740466586e-01 -5.310851405e-01 4.10 -1.145502904e-01 -3.570962286e-01 -5.102168134e-01 4.12 -1.064108823e-01 -3.409279440e-01 -4.898590935e-01 4.14 -9.888472164e-02 -3.254434503e-01 -4.699458818e-01 4.16 -9.194071100e-02 -3.105485927e-01 -4.504131104e-01 4.18 -8.553889388e-02 -2.961548182e-01 -4.311989857e-01 4.20 -7.963296692e-02 -2.821802008e-01 -4.122445224e-01 4.22 -7.417297368e-02 -2.685502475e-01 -3.934944055e-01 4.24 -6.910789323e-02 -2.551986313e-01 -3.748982077e-01 4.26 -6.438791237e-02 -2.420679675e-01 -3.564119739e-01 4.28 -5.996606606e-02 -2.291107038e-01 -3.380001529e-01 4.30 -5.579993120e-02 -2.162901451e-01 -3.196378131e-01 4.32 -5.185297385e-02 -2.035815727e-01 -3.013130199e-01 4.34 -4.809458067e-02 -1.909733571e-01 -2.830291848e-01 4.36 -4.450049592e-02 -1.784679041e-01 -2.648071226e-01 4.38 -4.105294673e-02 -1.660822280e-01 -2.466864954e-01 4.40 -3.774047110e-02 -1.538479196e-01 -2.287262949e-01 4.42 -3.455746706e-02 -1.418102959e-01 -2.110040368e-01 4.44 -3.150347553e-02 -1.300265749e-01 -1.936134373e-01 4.46 -2.858221920e-02 -1.185630349e-01 -1.766605053e-01 4.48 -2.580044400e-02 -1.074912606e-01 -1.602582080e-01 4.50 -2.316663728e-02 -9.688374356e-02 -1.445201064e-01 4.52 -2.068969339e-02 -8.680923540e-02 -1.295535638e-01 4.54 -1.837732401e-02 -7.732833357e-02 -1.154532487e-01 4.56 -1.623596225e-02 -6.848976370e-02 -1.022956406e-01 4.58 -1.426963205e-02 -6.032773695e-02 -9.013511311e-02 4.60 -1.247928790e-02 -5.286059885e-02 -7.900192339e-02 4.62 -1.086271761e-02 -4.609078600e-02 -6.890215625e-02 4.64 -9.414731150e-03 -4.000575443e-02 -5.981940816e-02 4.66 -8.127566286e-03 -3.458010024e-02 -5.171780926e-02 4.68 -6.991429673e-03 -2.977875955e-02 -4.454587639e-02 4.70 -5.995093831e-03 -2.555909709e-02 -3.824070113e-02 4.72 -5.126483512e-03 -2.187362750e-02 -3.273202417e-02 4.74 -4.373203329e-03 -1.867203505e-02 -2.794529890e-02 4.76 -3.722977981e-03 -1.590444113e-02 -2.380640442e-02 4.78 -3.163993437e-03 -1.352248459e-02 -2.024328843e-02 4.80 -2.685140458e-03 -1.148014197e-02 -1.718722952e-02 4.82 -2.276170294e-03 -9.734598543e-03 -1.457468342e-02 4.84 -1.927776900e-03 -8.246745760e-03 -1.234746672e-02 4.86 -1.631621441e-03 -6.981388584e-03 -1.045310625e-02 4.88 -1.380314204e-03 -5.907239020e-03 -8.844886492e-03 4.90 -1.167367200e-03 -4.996762126e-03 -7.481655278e-03 4.92 -9.871283786e-04 -4.225927941e-03 -6.327474950e-03 4.94 -8.347059763e-04 -3.573910570e-03 -5.351185681e-03 4.96 -7.058892900e-04 -3.022764722e-03 -4.525929523e-03 4.98 -5.970702968e-04 -2.557100921e-03 -3.828669085e-03 5.00 -5.051690285e-04 -2.163773430e-03 -3.239723155e-03 5.02 -4.275644514e-04 -1.831589439e-03 -2.742332931e-03 5.04 -3.620317540e-04 -1.551044117e-03 -2.322266239e-03 5.06 -3.066863453e-04 -1.314083322e-03 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