# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Jang-H-S-Kim-K-M-Lee-B-J--Zn-Mg # implementation = 2018--Jang-H-S--Zn-Mg--LAMMPS--ipr1 # composition = MgZn3 # 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 2022-05-24 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 2.398503988e+02 nan nan 1.06 2.220268921e+02 nan nan 1.08 2.055042780e+02 nan nan 1.10 1.901868692e+02 nan nan 1.12 1.759861674e+02 2.287705265e+02 nan 1.14 1.628203100e+02 2.139234582e+02 nan 1.16 1.506135592e+02 1.999829217e+02 2.329287613e+02 1.18 1.392958304e+02 1.868963286e+02 2.179633510e+02 1.20 1.288022600e+02 1.746139770e+02 2.039124888e+02 1.22 1.190728056e+02 1.630889031e+02 1.907221308e+02 1.24 1.100518778e+02 1.522767417e+02 1.783413429e+02 1.26 1.016880014e+02 1.421355914e+02 1.667221259e+02 1.28 9.393350260e+01 1.326258868e+02 1.558192498e+02 1.30 8.674422128e+01 1.237102769e+02 1.455900984e+02 1.32 8.007924457e+01 1.153535086e+02 1.359945211e+02 1.34 7.390066214e+01 1.075223164e+02 1.269946941e+02 1.36 6.817334063e+01 1.001853170e+02 1.185549885e+02 1.38 6.286471431e+01 9.331290883e+01 1.106418460e+02 1.40 5.794459320e+01 8.687717713e+01 1.032236612e+02 1.42 5.338498555e+01 8.085180312e+01 9.627067144e+01 1.44 4.915993369e+01 7.521197792e+01 8.975485109e+01 1.46 4.524536295e+01 6.993432066e+01 8.364981326e+01 1.48 4.161894175e+01 6.499680077e+01 7.793071611e+01 1.50 3.825995281e+01 6.037866416e+01 7.257417474e+01 1.52 3.514917382e+01 5.606036317e+01 6.755817785e+01 1.54 3.226876718e+01 5.202349004e+01 6.286200913e+01 1.56 2.960217854e+01 4.825071392e+01 5.846617302e+01 1.58 2.713404252e+01 4.472572096e+01 5.435232465e+01 1.60 2.485009569e+01 4.143315773e+01 5.050320370e+01 1.62 2.273709635e+01 3.835857738e+01 4.690257197e+01 1.64 2.078274998e+01 3.548838880e+01 4.353515446e+01 1.66 1.897564054e+01 3.280980832e+01 4.038658378e+01 1.68 1.730516668e+01 3.031081414e+01 3.744334768e+01 1.70 1.576148292e+01 2.798010297e+01 3.469273954e+01 1.72 1.433544511e+01 2.580704922e+01 3.212281171e+01 1.74 1.301855980e+01 2.378166620e+01 2.972233136e+01 1.76 1.180293760e+01 2.189456955e+01 2.748073900e+01 1.78 1.068124982e+01 2.013694251e+01 2.538810923e+01 1.80 9.646688262e+00 1.850050328e+01 2.343511377e+01 1.82 8.692928132e+00 1.697747392e+01 2.161298657e+01 1.84 7.814093495e+00 1.556055122e+01 1.991349093e+01 1.86 7.004725338e+00 1.424287892e+01 1.832888849e+01 1.88 6.259751925e+00 1.301802168e+01 1.685190996e+01 1.90 5.574461311e+00 1.187994037e+01 1.547572758e+01 1.92 4.944475877e+00 1.082296876e+01 1.419392910e+01 1.94 4.365728629e+00 9.841791553e+00 1.300049331e+01 1.96 3.834441268e+00 8.931423628e+00 1.188976691e+01 1.98 3.347103837e+00 8.087190422e+00 1.085644274e+01 2.00 2.900455769e+00 7.304709484e+00 9.895539315e+00 2.02 2.491468346e+00 6.579873014e+00 9.002381433e+00 2.04 2.117328395e+00 5.908831448e+00 8.172581997e+00 2.06 1.775423126e+00 5.287977937e+00 7.402024843e+00 2.08 1.463326072e+00 4.713933750e+00 6.686848571e+00 2.10 1.178784003e+00 4.183534490e+00 6.023431320e+00 2.12 9.197047895e-01 3.693817129e+00 5.408376416e+00 2.14 6.841461015e-01 3.242007768e+00 4.838498868e+00 2.16 4.703049103e-01 2.825510130e+00 4.310812642e+00 2.18 2.765077387e-01 2.441894709e+00 3.822518681e+00 2.20 1.012015830e-01 2.088888558e+00 3.370993623e+00 2.22 -5.705452634e-02 1.764365672e+00 2.953779183e+00 2.24 -1.995973679e-01 1.466337944e+00 2.568572156e+00 2.26 -3.276668268e-01 1.192946642e+00 2.213215005e+00 2.28 -4.424126871e-01 9.424544008e-01 1.885687006e+00 2.30 -5.449009466e-01 7.132376783e-01 1.584095912e+00 2.32 -6.361196910e-01 5.037796723e-01 1.306670112e+00 2.34 -7.169845634e-01 3.126636472e-01 1.051751251e+00 2.36 -7.883438518e-01 1.385666701e-01 8.177872864e-01 2.38 -8.509832239e-01 -1.974628650e-02 6.033259610e-01 2.40 -9.056301316e-01 -1.634278783e-01 4.070086581e-01 2.42 -9.529579139e-01 -2.935535982e-01 2.275646262e-01 2.44 -9.935896138e-01 -4.111266617e-01 6.380554631e-02 2.46 -1.028101528e+00 -5.170826038e-01 -8.537957510e-02 2.48 -1.057026517e+00 -6.122935897e-01 -2.210292083e-01 2.50 -1.080857081e+00 -6.975724681e-01 -3.441138143e-01 2.52 -1.100048224e+00 -7.736765717e-01 -4.555400875e-01 2.54 -1.115020123e+00 -8.413112896e-01 -5.561549430e-01 2.56 -1.126160607e+00 -9.011334152e-01 -6.467492641e-01 2.58 -1.133827469e+00 -9.537542920e-01 -7.280614226e-01 2.60 -1.138350618e+00 -9.997427612e-01 -8.007805868e-01 2.62 -1.140034076e+00 -1.039627930e+00 -8.655498277e-01 2.64 -1.139157843e+00 -1.073901763e+00 -9.229690381e-01 2.66 -1.135979632e+00 -1.103021519e+00 -9.735976726e-01 2.68 -1.130736478e+00 -1.127412030e+00 -1.017957321e+00 2.70 -1.123646244e+00 -1.147467837e+00 -1.056534124e+00 2.72 -1.114909012e+00 -1.163555195e+00 -1.089781041e+00 2.74 -1.104708387e+00 -1.176013951e+00 -1.118119980e+00 2.76 -1.093212705e+00 -1.185159302e+00 -1.141943795e+00 2.78 -1.080576153e+00 -1.191283440e+00 -1.161618159e+00 2.80 -1.066939821e+00 -1.194657096e+00 -1.177483324e+00 2.82 -1.052432669e+00 -1.195530986e+00 -1.189855771e+00 2.84 -1.037172436e+00 -1.194137158e+00 -1.199029757e+00 2.86 -1.021266478e+00 -1.190690261e+00 -1.205278765e+00 2.88 -1.004812547e+00 -1.185388729e+00 -1.208856868e+00 2.90 -9.878995234e-01 -1.178415886e+00 -1.210000000e+00 2.92 -9.706080869e-01 -1.169940985e+00 -1.208927157e+00 2.94 -9.530113445e-01 -1.160120175e+00 -1.205841511e+00 2.96 -9.351754137e-01 -1.149097406e+00 -1.200931467e+00 2.98 -9.171599627e-01 -1.137005281e+00 -1.194371642e+00 3.00 -8.990187145e-01 -1.123965843e+00 -1.186323788e+00 3.02 -8.807999122e-01 -1.110091316e+00 -1.176937655e+00 3.04 -8.625467532e-01 -1.095484797e+00 -1.166351799e+00 3.06 -8.442977907e-01 -1.080240904e+00 -1.154694341e+00 3.08 -8.260873073e-01 -1.064446375e+00 -1.142083671e+00 3.10 -8.079456613e-01 -1.048180632e+00 -1.128629113e+00 3.12 -7.898996076e-01 -1.031516313e+00 -1.114431548e+00 3.14 -7.719725957e-01 -1.014519756e+00 -1.099583987e+00 3.16 -7.541850468e-01 -9.972514591e-01 -1.084172123e+00 3.18 -7.365546089e-01 -9.797665114e-01 -1.068274831e+00 3.20 -7.190963953e-01 -9.621149895e-01 -1.051964646e+00 3.22 -7.018232047e-01 -9.443423307e-01 -1.035308207e+00 3.24 -6.847457252e-01 -9.264896807e-01 -1.018366670e+00 3.26 -6.678727241e-01 -9.085942174e-01 -1.001196095e+00 3.28 -6.512112232e-01 -8.906894537e-01 -9.838478097e-01 3.30 -6.347666617e-01 -8.728055193e-01 -9.663687473e-01 3.32 -6.185430473e-01 -8.549694237e-01 -9.488017599e-01 3.34 -6.025430964e-01 -8.372053014e-01 -9.311859152e-01 3.36 -5.867683641e-01 -8.195346407e-01 -9.135567705e-01 3.38 -5.712193646e-01 -8.019764968e-01 -8.959466295e-01 3.40 -5.558956842e-01 -7.845476908e-01 -8.783847813e-01 3.42 -5.407960848e-01 -7.672629946e-01 -8.608977237e-01 3.44 -5.259186018e-01 -7.501353041e-01 -8.435093714e-01 3.46 -5.112606336e-01 -7.331758000e-01 -8.262412495e-01 3.48 -4.968190270e-01 -7.163940978e-01 -8.091126744e-01 3.50 -4.825901549e-01 -6.997983875e-01 -7.921409220e-01 3.52 -4.685699907e-01 -6.833955635e-01 -7.753413845e-01 3.54 -4.547541767e-01 -6.671913462e-01 -7.587277163e-01 3.56 -4.411380893e-01 -6.511903937e-01 -7.423119694e-01 3.58 -4.277168986e-01 -6.353964069e-01 -7.261047202e-01 3.60 -4.144856264e-01 -6.198122259e-01 -7.101151867e-01 3.62 -4.014391991e-01 -6.044399201e-01 -6.943513377e-01 3.64 -3.885724985e-01 -5.892808708e-01 -6.788199946e-01 3.66 -3.758804087e-01 -5.743358473e-01 -6.635269250e-01 3.68 -3.633578613e-01 -5.596050778e-01 -6.484769310e-01 3.70 -3.509998769e-01 -5.450883131e-01 -6.336739301e-01 3.72 -3.388016047e-01 -5.307848862e-01 -6.191210306e-01 3.74 -3.267583588e-01 -5.166937656e-01 -6.048206016e-01 3.76 -3.148656530e-01 -5.028136043e-01 -5.907743380e-01 3.78 -3.031192325e-01 -4.891427852e-01 -5.769833202e-01 3.80 -2.915151030e-01 -4.756794613e-01 -5.634480704e-01 3.82 -2.800495582e-01 -4.624215936e-01 -5.501686033e-01 3.84 -2.687192042e-01 -4.493669860e-01 -5.371444743e-01 3.86 -2.575209825e-01 -4.365133172e-01 -5.243748237e-01 3.88 -2.464521905e-01 -4.238581722e-01 -5.118584169e-01 3.90 -2.355105008e-01 -4.113990708e-01 -4.995936825e-01 3.92 -2.246939783e-01 -3.991334963e-01 -4.875787468e-01 3.94 -2.140010975e-01 -3.870589222e-01 -4.758114660e-01 3.96 -2.034307581e-01 -3.751728380e-01 -4.642894555e-01 3.98 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-1.847602526e-01 4.70 7.453851114e-02 -4.835649475e-02 -1.799399399e-01 4.72 7.804318111e-02 -4.214088812e-02 -1.752384243e-01 4.74 8.132876252e-02 -3.606040521e-02 -1.706529885e-01 4.76 8.439974120e-02 -3.011742705e-02 -1.661809680e-01 4.78 8.726106576e-02 -2.431446044e-02 -1.618197512e-01 4.80 8.991812672e-02 -1.865408505e-02 -1.575667784e-01 4.82 9.237680301e-02 -1.313889762e-02 -1.534195418e-01 4.84 9.495261238e-02 -7.771454923e-03 -1.493755847e-01 4.86 9.748330702e-02 -2.554216879e-03 -1.454325010e-01 4.88 4.413950703e-02 2.510508389e-03 -1.415879347e-01 4.90 -6.915085999e-02 7.420616021e-03 -1.378395792e-01 4.92 -6.688822158e-02 1.217425084e-02 -1.341851763e-01 4.94 -6.468800360e-02 1.676984752e-02 -1.306225162e-01 4.96 -6.254908222e-02 2.120616361e-02 -1.271494360e-01 4.98 -6.047020399e-02 2.548230485e-02 -1.237638196e-01 5.00 -5.845002972e-02 2.959774268e-02 -1.204635966e-01 5.02 -5.648716930e-02 3.355232419e-02 -1.172467415e-01 5.04 -5.458020848e-02 3.734627503e-02 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-4.186698884e-02 5.78 -1.629563750e-02 6.279484551e-02 -4.068623901e-02 5.80 -1.597981932e-02 6.298974417e-02 -3.953716607e-02 5.82 -1.567115225e-02 6.315523808e-02 -3.841896902e-02 5.84 -1.536946763e-02 6.329286024e-02 -3.733086577e-02 5.86 -1.507460022e-02 6.340404382e-02 -3.627209282e-02 5.88 -1.478638807e-02 6.349012829e-02 -3.524190477e-02 5.90 -1.450467245e-02 6.355236557e-02 -3.423957396e-02 5.92 -1.419531041e-02 6.337284537e-02 -3.339058747e-02 5.94 -1.342762566e-02 6.015791608e-02 -3.420897008e-02 5.96 -1.109767658e-02 4.720253394e-02 -3.858966379e-02 5.98 -5.912534809e-03 2.048466688e-02 -3.605619009e-02 6.00 -5.969558994e-24 -4.562321330e-23 -3.371014580e-23