# 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 = Mg3Ti # 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 4.201276394e+02 nan nan 1.16 3.864605640e+02 nan nan 1.18 3.555853754e+02 nan nan 1.20 3.272518541e+02 nan nan 1.22 3.012356344e+02 nan nan 1.24 2.773350898e+02 nan nan 1.26 2.553682330e+02 nan nan 1.28 2.351699987e+02 3.636715485e+02 4.165525895e+02 1.30 2.165901586e+02 3.368848075e+02 3.865376548e+02 1.32 1.994917554e+02 3.121256337e+02 3.587592986e+02 1.34 1.837499022e+02 2.892291313e+02 3.330381165e+02 1.36 1.692510105e+02 2.680453215e+02 3.092102420e+02 1.38 1.558919916e+02 2.484380989e+02 2.871261915e+02 1.40 1.435791179e+02 2.302834255e+02 2.666496931e+02 1.42 1.322269180e+02 2.134675263e+02 2.476562663e+02 1.44 1.217574954e+02 1.978859048e+02 2.300319793e+02 1.46 1.120999425e+02 1.834429895e+02 2.136725178e+02 1.48 1.031895738e+02 1.700516195e+02 1.984822644e+02 1.50 9.496735169e+01 1.576320912e+02 1.843733825e+02 1.52 8.737899736e+01 1.461111252e+02 1.712651121e+02 1.54 8.037416004e+01 1.354211222e+02 1.590833070e+02 1.56 7.390711318e+01 1.254998275e+02 1.477599951e+02 1.58 6.793612661e+01 1.162901515e+02 1.372326961e+02 1.60 6.242267677e+01 1.077398160e+02 1.274436072e+02 1.62 5.733118095e+01 9.980083326e+01 1.183389971e+02 1.64 5.262895024e+01 9.242904735e+01 1.098689957e+02 1.66 4.828611778e+01 8.558322737e+01 1.019876412e+02 1.68 4.427536121e+01 7.922442666e+01 9.465297739e+01 1.70 4.057149026e+01 7.331672647e+01 8.782648925e+01 1.72 3.715107744e+01 6.782702003e+01 8.147221169e+01 1.74 3.399226924e+01 6.272488995e+01 7.555679477e+01 1.76 3.107478306e+01 5.798254265e+01 7.004955721e+01 1.78 2.837999281e+01 5.357455813e+01 6.492195572e+01 1.80 2.589094400e+01 4.947754382e+01 6.014753276e+01 1.82 2.359221243e+01 4.566983252e+01 5.570181168e+01 1.84 2.146967139e+01 4.213125779e+01 5.156213024e+01 1.86 1.951027231e+01 3.884302843e+01 4.770744612e+01 1.88 1.770189783e+01 3.578763934e+01 4.411818605e+01 1.90 1.603328234e+01 3.294879006e+01 4.077612420e+01 1.92 1.449397424e+01 3.031128793e+01 3.766425805e+01 1.94 1.307431481e+01 2.786096177e+01 3.476672036e+01 1.96 1.176540489e+01 2.558460916e+01 3.206872739e+01 1.98 1.055905247e+01 2.346998469e+01 2.955656297e+01 2.00 9.447700930e+00 2.150577991e+01 2.721755153e+01 2.02 8.424347521e+00 1.968155652e+01 2.503999074e+01 2.04 7.482476514e+00 1.798764518e+01 2.301305815e+01 2.06 6.616008803e+00 1.641504772e+01 2.112671092e+01 2.08 5.819273155e+00 1.495537002e+01 1.937160170e+01 2.10 5.086987324e+00 1.360078911e+01 1.773900118e+01 2.12 4.414235035e+00 1.234403554e+01 1.622073620e+01 2.14 3.796437020e+00 1.117837044e+01 1.480913578e+01 2.16 3.229325246e+00 1.009755119e+01 1.349698360e+01 2.18 2.708939232e+00 9.095780201e+00 1.227748071e+01 2.20 2.231632235e+00 8.167648237e+00 1.114422222e+01 2.22 1.794067667e+00 7.308076241e+00 1.009121180e+01 2.24 1.393157871e+00 6.512274520e+00 9.112879840e+00 2.26 1.026204869e+00 5.775725285e+00 8.204099805e+00 2.28 6.907458635e-01 5.094183924e+00 7.360170751e+00 2.30 3.844889219e-01 4.463697006e+00 6.576774173e+00 2.32 1.052925757e-01 3.880607034e+00 5.849910882e+00 2.34 -1.488450401e-01 3.341557152e+00 5.175844593e+00 2.36 -3.797874018e-01 2.843473048e+00 4.551060433e+00 2.38 -5.891810197e-01 2.383537539e+00 3.972240274e+00 2.40 -7.784649521e-01 1.959156091e+00 3.436260052e+00 2.42 -9.489982404e-01 1.567910946e+00 2.940192936e+00 2.44 -1.102072232e+00 1.207492164e+00 2.481316591e+00 2.46 -1.238917939e+00 8.758242770e-01 2.057112193e+00 2.48 -1.360714508e+00 5.709572575e-01 1.665252168e+00 2.50 -1.468596184e+00 2.910378823e-01 1.303557162e+00 2.52 -1.563654967e+00 3.431299672e-02 9.699729842e-01 2.54 -1.646936510e+00 -2.008654646e-01 6.626571816e-01 2.56 -1.719432298e+00 -4.160363084e-01 3.798594901e-01 2.58 -1.782064618e+00 -6.126085535e-01 1.199068863e-01 2.60 -1.835680202e+00 -7.917872972e-01 -1.187941564e-01 2.62 -1.881047167e+00 -9.546741975e-01 -3.377480248e-01 2.64 -1.918862065e+00 -1.102315697e+00 -5.383607033e-01 2.66 -1.949759446e+00 -1.235703737e+00 -7.219153416e-01 2.68 -1.974324092e+00 -1.355782088e+00 -8.895014563e-01 2.70 -1.993100186e+00 -1.463448618e+00 -1.042091985e+00 2.72 -2.006597493e+00 -1.559557046e+00 -1.180599441e+00 2.74 -2.015294654e+00 -1.644917642e+00 -1.305887185e+00 2.76 -2.019640567e+00 -1.720297221e+00 -1.418779904e+00 2.78 -2.020054663e+00 -1.786418658e+00 -1.520071540e+00 2.80 -2.016928117e+00 -1.843962874e+00 -1.610530692e+00 2.82 -2.010623295e+00 -1.893567608e+00 -1.690902061e+00 2.84 -2.001476163e+00 -1.935831678e+00 -1.761906513e+00 2.86 -1.989797635e+00 -1.971317559e+00 -1.824238695e+00 2.88 -1.975876665e+00 -2.000554644e+00 -1.878563689e+00 2.90 -1.959979524e+00 -2.024042164e+00 -1.925513229e+00 2.92 -1.942351041e+00 -2.042251536e+00 -1.965681979e+00 2.94 -1.923214980e+00 -2.055628292e+00 -1.999624271e+00 2.96 -1.902770865e+00 -2.064593929e+00 -2.027850827e+00 2.98 -1.881247015e+00 -2.069547812e+00 -2.050832256e+00 3.00 -1.858780187e+00 -2.070868825e+00 -2.068993666e+00 3.02 -1.835444309e+00 -2.068916008e+00 -2.082722808e+00 3.04 -1.811309262e+00 -2.064027062e+00 -2.092373338e+00 3.06 -1.786442108e+00 -2.056517760e+00 -2.098269875e+00 3.08 -1.760908566e+00 -2.046675316e+00 -2.100712728e+00 3.10 -1.734774426e+00 -2.034758216e+00 -2.099981803e+00 3.12 -1.708106205e+00 -2.020994556e+00 -2.096339507e+00 3.14 -1.680934082e+00 -2.005586022e+00 -2.090032636e+00 3.16 -1.653220334e+00 -1.988708280e+00 -2.081293451e+00 3.18 -1.624945293e+00 -1.970518010e+00 -2.070340198e+00 3.20 -1.596114621e+00 -1.951168983e+00 -2.057377346e+00 3.22 -1.566755481e+00 -1.930794773e+00 -2.042596879e+00 3.24 -1.536912617e+00 -1.909501991e+00 -2.026178442e+00 3.26 -1.506644526e+00 -1.887424599e+00 -2.008291896e+00 3.28 -1.476020038e+00 -1.864643021e+00 -1.989099276e+00 3.30 -1.445115527e+00 -1.841224360e+00 -1.968756786e+00 3.32 -1.414012739e+00 -1.817238123e+00 -1.947430799e+00 3.34 -1.382796665e+00 -1.792753364e+00 -1.925309043e+00 3.36 -1.351554204e+00 -1.767834197e+00 -1.902488436e+00 3.38 -1.320370159e+00 -1.742519962e+00 -1.879058922e+00 3.40 -1.289324982e+00 -1.716836423e+00 -1.855108276e+00 3.42 -1.258491027e+00 -1.690809691e+00 -1.830718169e+00 3.44 -1.227931708e+00 -1.664436710e+00 -1.805961533e+00 3.46 -1.197697791e+00 -1.637701501e+00 -1.780901592e+00 3.48 -1.167829372e+00 -1.610604774e+00 -1.755592416e+00 3.50 -1.138356401e+00 -1.583163772e+00 -1.730064373e+00 3.52 -1.109301575e+00 -1.555410890e+00 -1.704286923e+00 3.54 -1.080680648e+00 -1.527391321e+00 -1.678225084e+00 3.56 -1.052505304e+00 -1.499159654e+00 -1.651861148e+00 3.58 -1.024784167e+00 -1.470775657e+00 -1.625192390e+00 3.60 -9.975237568e-01 -1.442299778e+00 -1.598229639e+00 3.62 -9.707291478e-01 -1.413789056e+00 -1.570995530e+00 3.64 -9.444044193e-01 -1.385294097e+00 -1.543522342e+00 3.66 -9.185529562e-01 -1.356857479e+00 -1.515849450e+00 3.68 -8.931776308e-01 -1.328513626e+00 -1.488020522e+00 3.70 -8.682808918e-01 -1.300289852e+00 -1.460080722e+00 3.72 -8.438647820e-01 -1.272208104e+00 -1.432074227e+00 3.74 -8.199309080e-01 -1.244286963e+00 -1.404042354e+00 3.76 -7.964803887e-01 -1.216543514e+00 -1.376022425e+00 3.78 -7.735138049e-01 -1.188994873e+00 -1.348047386e+00 3.80 -7.510311672e-01 -1.161659253e+00 -1.320146014e+00 3.82 -7.290319110e-01 -1.134556544e+00 -1.292343504e+00 3.84 -7.075149207e-01 -1.107708424e+00 -1.264662229e+00 3.86 -6.864785792e-01 -1.081138041e+00 -1.237122486e+00 3.88 -6.659208309e-01 -1.054869348e+00 -1.209743164e+00 3.90 -6.458392488e-01 -1.028926211e+00 -1.182542289e+00 3.92 -6.262308383e-01 -1.003331131e+00 -1.155537076e+00 3.94 -6.070931419e-01 -9.781055577e-01 -1.128745875e+00 3.96 -5.884225664e-01 -9.532672438e-01 -1.102185979e+00 3.98 -5.702155655e-01 -9.288312045e-01 -1.075875672e+00 4.00 -5.524682892e-01 -9.048092550e-01 -1.049833998e+00 4.02 -5.351765366e-01 -8.812101852e-01 -1.024080925e+00 4.04 -5.183357040e-01 -8.580401258e-01 -9.986373986e-01 4.06 -5.019407367e-01 -8.353030116e-01 -9.735252014e-01 4.08 -4.859860927e-01 -8.130010606e-01 -9.487666005e-01 4.10 -4.704657239e-01 -7.911342878e-01 -9.243837543e-01 4.12 -4.553730797e-01 -7.697047227e-01 -9.003979277e-01 4.14 -4.407011323e-01 -7.487105793e-01 -8.768286024e-01 4.16 -4.264424225e-01 -7.281507426e-01 -8.536926143e-01 4.18 -4.125891234e-01 -7.080237347e-01 -8.310034547e-01 4.20 -3.991324882e-01 -6.883277719e-01 -8.087708446e-01 4.22 -3.860655632e-01 -6.690607817e-01 -7.870006391e-01 4.24 -3.733791136e-01 -6.502203958e-01 -7.656950521e-01 4.26 -3.610646288e-01 -6.318039308e-01 -7.448531397e-01 4.28 -3.491136067e-01 -6.138083657e-01 -7.244714500e-01 4.30 -3.375176031e-01 -5.962303217e-01 -7.045447394e-01 4.32 -3.262682643e-01 -5.790660500e-01 -6.850666727e-01 4.34 -3.153573434e-01 -5.623114256e-01 -6.660304435e-01 4.36 -3.047765055e-01 -5.459619493e-01 -6.474292795e-01 4.38 -2.945181365e-01 -5.300127543e-01 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-1.201626449e-01 5.46 -2.032126453e-02 -8.259737995e-02 -1.159322890e-01 5.48 -1.901033486e-02 -7.933544394e-02 -1.117890777e-01 5.50 -1.780255309e-02 -7.615866236e-02 -1.077272041e-01 5.52 -1.668775257e-02 -7.306334735e-02 -1.037411645e-01 5.54 -1.565662903e-02 -7.004604987e-02 -9.982553373e-02 5.56 -1.470082909e-02 -6.710353896e-02 -9.597644010e-02 5.58 -1.381297731e-02 -6.423281383e-02 -9.218957415e-02 5.60 -1.298665340e-02 -6.143114952e-02 -8.846180169e-02 5.62 -1.221633078e-02 -5.869617187e-02 -8.479091520e-02 5.64 -1.149728696e-02 -5.602595305e-02 -8.117576409e-02 5.66 -1.082549575e-02 -5.341911485e-02 -7.761636553e-02 5.68 -1.019751028e-02 -5.087492679e-02 -7.411398228e-02 5.70 -9.610345382e-03 -4.839337724e-02 -7.067115371e-02 5.72 -9.061366506e-03 -4.597520296e-02 -6.729166658e-02 5.74 -8.548191078e-03 -4.362187879e-02 -6.398045527e-02 5.76 -8.068606513e-03 -4.133548799e-02 -6.074342710e-02 5.78 -7.620507084e-03 -3.911863701e-02 -5.758721607e-02 5.80 -7.201849972e-03 -3.697437797e-02 -5.451885522e-02 5.82 -6.810629151e-03 -3.490590324e-02 -5.154542241e-02 5.84 -6.444864474e-03 -3.291629329e-02 -4.867365974e-02 5.86 -6.102602570e-03 -3.100827373e-02 -4.590959961e-02 5.88 -5.781925973e-03 -2.918392006e-02 -4.325822956e-02 5.90 -5.480967076e-03 -2.744395935e-02 -4.072322276e-02 5.92 -5.197924066e-03 -2.578902410e-02 -3.830675462e-02 5.94 -4.931076675e-03 -2.421895857e-02 -3.600941625e-02 5.96 -4.678800313e-03 -2.273258023e-02 -3.383022219e-02 5.98 -4.439577779e-03 -2.132774905e-02 -3.176643786e-02 6.00 -4.212008311e-03 -2.000148716e-02 -2.981359885e-02