# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Shim-J-H-Lee-Y-S-Fleury-E-et-al--V-H # implementation = 2011--Shim-J-H--V-H--LAMMPS--ipr1 # composition = HV3 # 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 2.537383584e+02 nan nan 0.80 2.376157151e+02 nan nan 0.82 2.224096942e+02 nan nan 0.84 2.080730514e+02 2.485855878e+02 nan 0.86 1.945606040e+02 2.339529611e+02 2.389152081e+02 0.88 1.818291818e+02 2.200928734e+02 2.252515340e+02 0.90 1.698375722e+02 2.069683967e+02 2.122996260e+02 0.92 1.585464629e+02 1.945440680e+02 2.000243977e+02 0.94 1.479183820e+02 1.827858632e+02 1.883924100e+02 0.96 1.379176361e+02 1.716611678e+02 1.773718001e+02 0.98 1.285102478e+02 1.611387441e+02 1.669322114e+02 1.00 1.196638925e+02 1.511886954e+02 1.570447271e+02 1.02 1.113478356e+02 1.417824286e+02 1.476818058e+02 1.04 1.035328692e+02 1.328926156e+02 1.388172196e+02 1.06 9.619125059e+01 1.244931522e+02 1.304259944e+02 1.08 8.929664112e+01 1.165591187e+02 1.224843533e+02 1.10 8.282404602e+01 1.090667376e+02 1.149696617e+02 1.12 7.674975604e+01 1.019933335e+02 1.078603751e+02 1.14 7.105129035e+01 9.531729141e+01 1.011359884e+02 1.16 6.570734101e+01 8.901801684e+01 9.477698875e+01 1.18 6.069771915e+01 8.307589531e+01 8.876480879e+01 1.20 5.600330284e+01 7.747225323e+01 8.308178328e+01 1.22 5.160598670e+01 7.218931934e+01 7.771110683e+01 1.24 4.748863338e+01 6.721018699e+01 7.263679384e+01 1.26 4.363502672e+01 6.251877748e+01 6.784364011e+01 1.28 4.002982674e+01 5.809980428e+01 6.331718620e+01 1.30 3.665852642e+01 5.393873840e+01 5.904368237e+01 1.32 3.350741021e+01 5.002177477e+01 5.501005519e+01 1.34 3.056351429e+01 4.633579978e+01 5.120387554e+01 1.36 2.781458845e+01 4.286835985e+01 4.761332815e+01 1.38 2.524905971e+01 3.960763116e+01 4.422718247e+01 1.40 2.285599750e+01 3.654239049e+01 4.103476486e+01 1.42 2.062508043e+01 3.366198714e+01 3.802593206e+01 1.44 1.854656453e+01 3.095631594e+01 3.519104588e+01 1.46 1.661125304e+01 2.841579134e+01 3.252094902e+01 1.48 1.481046755e+01 2.603132253e+01 3.000694200e+01 1.50 1.313602056e+01 2.379428962e+01 2.764076120e+01 1.52 1.158018932e+01 2.169652077e+01 2.541455783e+01 1.54 1.013569098e+01 1.973027037e+01 2.332087795e+01 1.56 8.795658938e+00 1.788819806e+01 2.135264334e+01 1.58 7.553620377e+00 1.616334882e+01 1.950313333e+01 1.60 6.403474896e+00 1.454913380e+01 1.776596741e+01 1.62 5.339474254e+00 1.303931207e+01 1.613508870e+01 1.64 4.356203118e+00 1.162797327e+01 1.460474819e+01 1.66 3.448560805e+00 1.030952094e+01 1.316948963e+01 1.68 2.611743967e+00 9.078656681e+00 1.182413529e+01 1.70 1.841230164e+00 7.930365087e+00 1.056377225e+01 1.72 1.132762303e+00 6.859899333e+00 9.383739363e+00 1.74 4.823338839e-01 5.862767479e+00 8.279614932e+00 1.76 -1.138249678e-01 4.934719422e+00 7.247204831e+00 1.78 -6.592607381e-01 4.071734479e+00 6.282531290e+00 1.80 -1.157309051e+00 3.270009572e+00 5.381822172e+00 1.82 -1.611106529e+00 2.525947989e+00 4.541500771e+00 1.84 -2.023602014e+00 1.836148696e+00 3.758176103e+00 1.86 -2.397567187e+00 1.197396177e+00 3.028633654e+00 1.88 -2.735606613e+00 6.066507775e-01 2.349826577e+00 1.90 -3.040167234e+00 6.103952719e-02 1.718867315e+00 1.92 -3.313547359e+00 -4.421525774e-01 1.133019628e+00 1.94 -3.557905146e+00 -9.054908530e-01 5.896909999e-01 1.96 -3.775266632e+00 -1.331398793e+00 8.642541910e-02 1.98 -3.967533315e+00 -1.722165533e+00 -3.791034887e-01 2.00 -4.136489317e+00 -2.079952939e+00 -8.090989985e-01 2.02 -4.283808156e+00 -2.406802329e+00 -1.205647502e+00 2.04 -4.411059139e+00 -2.704640864e+00 -1.570724419e+00 2.06 -4.519713397e+00 -2.975287595e+00 -1.906199825e+00 2.08 -4.611149587e+00 -3.220459216e+00 -2.213843792e+00 2.10 -4.686659279e+00 -3.441775507e+00 -2.495331479e+00 2.12 -4.747452029e+00 -3.640764509e+00 -2.752247963e+00 2.14 -4.794660180e+00 -3.818867417e+00 -2.986092838e+00 2.16 -4.829343384e+00 -3.977443235e+00 -3.198284578e+00 2.18 -4.852492873e+00 -4.117773173e+00 -3.390164697e+00 2.20 -4.865035487e+00 -4.241064829e+00 -3.563001691e+00 2.22 -4.867837475e+00 -4.348456144e+00 -3.717994789e+00 2.24 -4.861708074e+00 -4.441019152e+00 -3.856277521e+00 2.26 -4.847402903e+00 -4.519763537e+00 -3.978921100e+00 2.28 -4.825628095e+00 -4.585639996e+00 -4.086937646e+00 2.30 -4.797044150e+00 -4.639543433e+00 -4.181283236e+00 2.32 -4.762256735e+00 -4.682315980e+00 -4.262860814e+00 2.34 -4.721838842e+00 -4.714749855e+00 -4.332522950e+00 2.36 -4.676324210e+00 -4.737590080e+00 -4.391074457e+00 2.38 -4.626207520e+00 -4.751537042e+00 -4.439274880e+00 2.40 -4.571948627e+00 -4.757248936e+00 -4.477840866e+00 2.42 -4.513974664e+00 -4.755344560e+00 -4.507448400e+00 2.44 -4.452682021e+00 -4.746405461e+00 -4.528734943e+00 2.46 -4.388438203e+00 -4.730973316e+00 -4.542301452e+00 2.48 -4.321583590e+00 -4.709560241e+00 -4.548714305e+00 2.50 -4.252433083e+00 -4.682646369e+00 -4.548507121e+00 2.52 -4.181277659e+00 -4.650680892e+00 -4.542182496e+00 2.54 -4.108385833e+00 -4.614084539e+00 -4.530213643e+00 2.56 -4.034005028e+00 -4.573251132e+00 -4.513045956e+00 2.58 -3.958362876e+00 -4.528549073e+00 -4.491098486e+00 2.60 -3.881668428e+00 -4.480322738e+00 -4.464765352e+00 2.62 -3.804113298e+00 -4.428893802e+00 -4.434417071e+00 2.64 -3.725872747e+00 -4.374562490e+00 -4.400401822e+00 2.66 -3.647106688e+00 -4.317608760e+00 -4.363046653e+00 2.68 -3.567960642e+00 -4.258293425e+00 -4.322658612e+00 2.70 -3.488566641e+00 -4.196859210e+00 -4.279525834e+00 2.72 -3.409044072e+00 -4.133531760e+00 -4.233918562e+00 2.74 -3.329500480e+00 -4.068520587e+00 -4.186090122e+00 2.76 -3.250032328e+00 -4.002019975e+00 -4.136277821e+00 2.78 -3.170725715e+00 -3.934209832e+00 -4.084499164e+00 2.80 -3.091657065e+00 -3.865256508e+00 -4.029137449e+00 2.82 -3.012893787e+00 -3.795313572e+00 -3.968722875e+00 2.84 -2.934494907e+00 -3.724522548e+00 -3.911736455e+00 2.86 -2.856511686e+00 -3.653013632e+00 -3.855320820e+00 2.88 -2.778988225e+00 -3.580906372e+00 -3.798056996e+00 2.90 -2.701962067e+00 -3.508310337e+00 -3.740091670e+00 2.92 -2.625464796e+00 -3.435325760e+00 -3.681561453e+00 2.94 -2.549522650e+00 -3.362044176e+00 -3.622593441e+00 2.96 -2.474157159e+00 -3.288549050e+00 -3.563305756e+00 2.98 -2.399385800e+00 -3.214916412e+00 -3.503808048e+00 3.00 -2.325222704e+00 -3.141215492e+00 -3.444201982e+00 3.02 -2.251679409e+00 -3.067509375e+00 -3.384581684e+00 3.04 -2.178765679e+00 -2.993855680e+00 -3.325034182e+00 3.06 -2.106490399e+00 -2.920307265e+00 -3.265639805e+00 3.08 -2.034862551e+00 -2.846912977e+00 -3.206472577e+00 3.10 -1.963892300e+00 -2.773718444e+00 -3.147600578e+00 3.12 -1.893592169e+00 -2.700766929e+00 -3.089086292e+00 3.14 -1.823978325e+00 -2.628100240e+00 -3.030986931e+00 3.16 -1.755071973e+00 -2.555759712e+00 -2.973354753e+00 3.18 -1.686900822e+00 -2.483787247e+00 -2.916237343e+00 3.20 -1.619274261e+00 -2.412226426e+00 -2.859677903e+00 3.22 -1.551790863e+00 -2.341123673e+00 -2.803715502e+00 3.24 -1.528605259e+00 -2.270529449e+00 -2.748385333e+00 3.26 -1.315121467e+00 -2.200499458e+00 -2.693718939e+00 3.28 -1.228213826e+00 -2.131095816e+00 -2.639744441e+00 3.30 -1.197779049e+00 -2.062388134e+00 -2.586486740e+00 3.32 -1.167926665e+00 -1.994454437e+00 -2.533967718e+00 3.34 -1.138657177e+00 -1.927381850e+00 -2.482206424e+00 3.36 -1.109970089e+00 -1.861266944e+00 -2.431219246e+00 3.38 -1.081863956e+00 -1.796215008e+00 -2.381020079e+00 3.40 -1.054336446e+00 -1.728295194e+00 -2.331620480e+00 3.42 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-1.581645251e+00 3.78 -5.659864021e-01 -7.530047013e-01 -1.547406845e+00 3.80 -5.517763341e-01 -7.321551612e-01 -1.513883442e+00 3.82 -5.378649277e-01 -7.118352164e-01 -1.481061397e+00 3.84 -5.242487397e-01 -6.920323213e-01 -1.448926620e+00 3.86 -5.109242010e-01 -6.727347991e-01 -1.417464631e+00 3.88 -4.978876293e-01 -6.539315399e-01 -1.386660603e+00 3.90 -4.851352420e-01 -6.356118063e-01 -1.356499419e+00 3.92 -4.714901849e-01 -6.162055131e-01 -1.324051826e+00 3.94 -4.422272823e-01 -5.762197827e-01 -1.252357171e+00 3.96 -3.605514681e-01 -4.674954414e-01 -1.044615618e+00 3.98 -1.872235778e-01 -2.405488592e-01 -5.732675653e-01 4.00 -7.784970677e-23 -1.627575688e-22 -1.808505239e-22 4.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 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