# 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 = Mg3Mo # 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 4.447880959e+02 nan nan 1.16 4.089645263e+02 nan nan 1.18 3.761294252e+02 nan nan 1.20 3.460178241e+02 nan nan 1.22 3.183888136e+02 nan nan 1.24 2.930231641e+02 nan nan 1.26 2.697210085e+02 nan nan 1.28 2.482999170e+02 3.847401775e+02 4.408632949e+02 1.30 2.285939121e+02 3.563010165e+02 4.090006002e+02 1.32 2.104533445e+02 3.300277685e+02 3.795175747e+02 1.34 1.937446393e+02 3.057431586e+02 3.522167849e+02 1.36 1.783490149e+02 2.832830149e+02 3.269198409e+02 1.38 1.641602251e+02 2.624961360e+02 3.034667351e+02 1.40 1.510822310e+02 2.432446550e+02 2.817138961e+02 1.42 1.390273612e+02 2.254039857e+02 2.615317062e+02 1.44 1.279149685e+02 2.088620521e+02 2.428022514e+02 1.46 1.176704082e+02 1.935180273e+02 2.254175993e+02 1.48 1.082251017e+02 1.792809148e+02 2.092784820e+02 1.50 9.951705060e+01 1.660681817e+02 1.942931998e+02 1.52 9.148600922e+01 1.538045814e+02 1.803766292e+02 1.54 8.407561730e+01 1.424212255e+02 1.674494238e+02 1.56 7.723509677e+01 1.318548975e+02 1.554376141e+02 1.58 7.091872741e+01 1.220475012e+02 1.442725557e+02 1.60 6.508536321e+01 1.129455325e+02 1.338909749e+02 1.62 5.969788385e+01 1.045014184e+02 1.242348758e+02 1.64 5.472264404e+01 9.666991049e+01 1.152512249e+02 1.66 5.012899682e+01 8.940740842e+01 1.068924614e+02 1.68 4.588886270e+01 8.267262551e+01 9.911645988e+01 1.70 4.197634292e+01 7.642716768e+01 9.188223474e+01 1.72 3.836741387e+01 7.063522417e+01 8.515139780e+01 1.74 3.503974834e+01 6.526323377e+01 7.888854758e+01 1.76 3.197263063e+01 6.027977587e+01 7.306115914e+01 1.78 2.914689602e+01 5.565551009e+01 6.763915120e+01 1.80 2.654482431e+01 5.136315659e+01 6.259477632e+01 1.82 2.414996508e+01 4.737751578e+01 5.790244043e+01 1.84 2.194693728e+01 4.367548835e+01 5.353846968e+01 1.86 1.992125294e+01 4.023609148e+01 4.948084795e+01 1.88 1.805919866e+01 3.704039827e+01 4.570898612e+01 1.90 1.634778056e+01 3.407137395e+01 4.220352706e+01 1.92 1.477472267e+01 3.131361123e+01 3.894617169e+01 1.94 1.332849926e+01 2.875302754e+01 3.591955411e+01 1.96 1.199837356e+01 2.637658653e+01 3.310715721e+01 1.98 1.077443306e+01 2.417209369e+01 3.049329184e+01 2.00 9.647610996e+00 2.212805896e+01 2.806313975e+01 2.02 8.609683758e+00 2.023360008e+01 2.580284541e+01 2.04 7.653250248e+00 1.847837070e+01 2.369962560e+01 2.06 6.771686041e+00 1.685250767e+01 2.174184180e+01 2.08 5.959081734e+00 1.534660107e+01 1.991900751e+01 2.10 5.210266527e+00 1.395169757e+01 1.822171520e+01 2.12 4.520591555e+00 1.265933729e+01 1.664151785e+01 2.14 3.885552510e+00 1.146161166e+01 1.517079203e+01 2.16 3.301102847e+00 1.035122256e+01 1.380260348e+01 2.18 2.763571511e+00 9.321513170e+00 1.253058448e+01 2.20 2.269582677e+00 8.366461991e+00 1.134882097e+01 2.22 1.816000616e+00 7.480637262e+00 1.025177173e+01 2.24 1.400015216e+00 6.659133313e+00 9.234199620e+00 2.26 1.019189655e+00 5.897502978e+00 8.291132989e+00 2.28 6.711842963e-01 5.191752361e+00 7.417839196e+00 2.30 3.537416852e-01 4.538274194e+00 6.609810279e+00 2.32 6.469993534e-02 3.933452119e+00 5.862744238e+00 2.34 -1.979978908e-01 3.373956472e+00 5.172527924e+00 2.36 -4.362955425e-01 2.856712246e+00 4.535221008e+00 2.38 -6.520175405e-01 2.378857299e+00 3.947051603e+00 2.40 -8.468676278e-01 1.937711466e+00 3.404578228e+00 2.42 -1.022430051e+00 1.530757488e+00 2.904243962e+00 2.44 -1.180174805e+00 1.155750620e+00 2.442588430e+00 2.46 -1.321464960e+00 8.107025035e-01 2.016421504e+00 2.48 -1.447564279e+00 4.937036812e-01 1.622836131e+00 2.50 -1.559643925e+00 2.029262373e-01 1.259205647e+00 2.52 -1.658787878e+00 -6.336392886e-02 9.232009738e-01 2.54 -1.745996868e+00 -3.067987736e-01 6.129895194e-01 2.56 -1.822193875e+00 -5.289042900e-01 3.269985909e-01 2.58 -1.888224502e+00 -7.311014438e-01 6.372534566e-02 2.60 -1.944863113e+00 -9.147115449e-01 -1.782600637e-01 2.62 -1.992815276e+00 -1.080964364e+00 -4.003107450e-01 2.64 -2.032723566e+00 -1.231010432e+00 -6.037049164e-01 2.66 -2.065171832e+00 -1.365927200e+00 -7.896440333e-01 2.68 -2.090692088e+00 -1.486729919e+00 -9.592596842e-01 2.70 -2.109770799e+00 -1.594377178e+00 -1.113618145e+00 2.72 -2.122855251e+00 -1.689775228e+00 -1.253726180e+00 2.74 -2.130359266e+00 -1.773780644e+00 -1.380536613e+00 2.76 -2.132667874e+00 -1.847201874e+00 -1.494953173e+00 2.78 -2.130140569e+00 -1.910799985e+00 -1.597834041e+00 2.80 -2.123114340e+00 -1.965291461e+00 -1.689994170e+00 2.82 -2.111904019e+00 -2.011347964e+00 -1.772204593e+00 2.84 -2.096804614e+00 -2.049601145e+00 -1.845190705e+00 2.86 -2.078092690e+00 -2.080646045e+00 -1.909628642e+00 2.88 -2.056030387e+00 -2.105045269e+00 -1.966141748e+00 2.90 -2.030867267e+00 -2.123332909e+00 -2.015298493e+00 2.92 -2.002862375e+00 -2.136017654e+00 -2.057612851e+00 2.94 -1.972339853e+00 -2.143584696e+00 -2.093547218e+00 2.96 -1.939424261e+00 -2.146496214e+00 -2.123516180e+00 2.98 -1.904233595e+00 -2.145190475e+00 -2.147896832e+00 3.00 -1.866925757e+00 -2.140079857e+00 -2.167027408e+00 3.02 -1.827702337e+00 -2.131548298e+00 -2.181218179e+00 3.04 -1.786704102e+00 -2.119948560e+00 -2.190755123e+00 3.06 -1.743795974e+00 -2.105636485e+00 -2.195904483e+00 3.08 -1.698915892e+00 -2.088865405e+00 -2.196916725e+00 3.10 -1.652153614e+00 -2.069833425e+00 -2.194029820e+00 3.12 -1.603735422e+00 -2.048731970e+00 -2.187471758e+00 3.14 -1.553998646e+00 -2.025744506e+00 -2.177462221e+00 3.16 -1.503358233e+00 -2.001026882e+00 -2.164213444e+00 3.18 -1.452269357e+00 -1.974656455e+00 -2.147930464e+00 3.20 -1.401190717e+00 -1.946709600e+00 -2.128810967e+00 3.22 -1.350552822e+00 -1.917308442e+00 -2.107046035e+00 3.24 -1.300734323e+00 -1.886594942e+00 -2.082819974e+00 3.26 -1.252047758e+00 -1.854627803e+00 -2.056312847e+00 3.28 -1.204734392e+00 -1.821476079e+00 -2.027773969e+00 3.30 -1.158966553e+00 -1.787222561e+00 -1.997346444e+00 3.32 -1.114855154e+00 -1.751963007e+00 -1.965102357e+00 3.34 -1.072459681e+00 -1.715796672e+00 -1.931137230e+00 3.36 -1.031800221e+00 -1.678702016e+00 -1.895572841e+00 3.38 -9.928655390e-01 -1.640587199e+00 -1.858558871e+00 3.40 -9.556225447e-01 -1.601410104e+00 -1.820184188e+00 3.42 -9.200217733e-01 -1.561185059e+00 -1.780335776e+00 3.44 -8.860035809e-01 -1.519983218e+00 -1.738952711e+00 3.46 -8.534990659e-01 -1.477931173e+00 -1.696073013e+00 3.48 -8.224347554e-01 -1.435204951e+00 -1.651825820e+00 3.50 -7.927342440e-01 -1.392020354e+00 -1.606417609e+00 3.52 -7.643217359e-01 -1.348620287e+00 -1.560118090e+00 3.54 -7.371215414e-01 -1.305260393e+00 -1.513235267e+00 3.56 -7.110609766e-01 -1.262194592e+00 -1.466098470e+00 3.58 -6.860708189e-01 -1.219662040e+00 -1.419038102e+00 3.60 -6.620858606e-01 -1.177876645e+00 -1.372369103e+00 3.62 -6.390452220e-01 -1.137019826e+00 -1.326378011e+00 3.64 -6.168924980e-01 -1.097236666e+00 -1.281313867e+00 3.66 -5.955757775e-01 -1.058635169e+00 -1.237382752e+00 3.68 -5.750475525e-01 -1.021288089e+00 -1.194745478e+00 3.70 -5.552645308e-01 -9.852365952e-01 -1.153517944e+00 3.72 -5.361873671e-01 -9.504950874e-01 -1.113773668e+00 3.74 -5.177803391e-01 -9.170565130e-01 -1.075548038e+00 3.76 -5.000109952e-01 -8.848976782e-01 -1.038843812e+00 3.78 -4.828498014e-01 -8.539841665e-01 -1.003637320e+00 3.80 -4.662698070e-01 -8.242745964e-01 -9.698848284e-01 3.82 -4.502463426e-01 -7.957240510e-01 -9.375285548e-01 3.84 -4.347567565e-01 -7.682865999e-01 -9.065019686e-01 3.86 -4.197801879e-01 -7.419169146e-01 -8.767341575e-01 3.88 -4.052973724e-01 -7.165710696e-01 -8.481532017e-01 3.90 -3.912904726e-01 -6.922066978e-01 -8.206886138e-01 3.92 -3.777426540e-01 -6.687823819e-01 -7.942725130e-01 3.94 -3.646390906e-01 -6.462586923e-01 -7.688425544e-01 3.96 -3.519650154e-01 -6.245954896e-01 -7.443393597e-01 3.98 -3.397068812e-01 -6.037533828e-01 -7.207088389e-01 4.00 -3.278518949e-01 -5.836933468e-01 -6.979015247e-01 4.02 -3.163879061e-01 -5.643769889e-01 -6.758723368e-01 4.04 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-6.468679400e-02 5.46 -1.728300391e-02 -4.646360810e-02 -6.252259436e-02 5.48 -1.646441804e-02 -4.463348606e-02 -6.042839613e-02 5.50 -1.567876474e-02 -4.286893058e-02 -5.840174846e-02 5.52 -1.492384380e-02 -4.117009072e-02 -5.644025410e-02 5.54 -1.419785730e-02 -3.953686316e-02 -5.454125417e-02 5.56 -1.349940646e-02 -3.796881487e-02 -5.270312214e-02 5.58 -1.282747060e-02 -3.646513020e-02 -5.092323415e-02 5.60 -1.218136945e-02 -3.502458598e-02 -4.919937698e-02 5.62 -1.156071062e-02 -3.364555450e-02 -4.752937416e-02 5.64 -1.096532515e-02 -3.232603167e-02 -4.591108292e-02 5.66 -1.039519462e-02 -3.106368485e-02 -4.434239106e-02 5.68 -9.850374584e-03 -2.985591399e-02 -4.282121375e-02 5.70 -9.330919657e-03 -2.869991930e-02 -4.134549049e-02 5.72 -8.836815333e-03 -2.759276937e-02 -3.991318232e-02 5.74 -8.367921369e-03 -2.653146395e-02 -3.852226650e-02 5.76 -7.923930196e-03 -2.551292171e-02 -3.717053445e-02 5.78 -7.504342230e-03 -2.453411520e-02 -3.585591743e-02 5.80 -7.108458217e-03 -2.359215696e-02 -3.457650018e-02 5.82 -6.735387099e-03 -2.268426427e-02 -3.333037526e-02 5.84 -6.384066608e-03 -2.180776869e-02 -3.211564558e-02 5.86 -6.053293071e-03 -2.096012872e-02 -3.093042830e-02 5.88 -5.741756705e-03 -2.013893722e-02 -2.977286040e-02 5.90 -5.448078939e-03 -1.934192552e-02 -2.864110631e-02 5.92 -5.170848891e-03 -1.856696547e-02 -2.753336789e-02 5.94 -4.908656930e-03 -1.781207115e-02 -2.644789716e-02 5.96 -4.660123992e-03 -1.707540106e-02 -2.538300844e-02 5.98 -4.423926087e-03 -1.635526184e-02 -2.433707645e-02 6.00 -4.198813951e-03 -1.565011415e-02 -2.330861128e-02