# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Shim-J-H-Ko-W-S-Kim-K-H-et-al--V-Ni-H # implementation = 2013--Shim-J-H--V-Ni-H--LAMMPS--ipr1 # composition = H3Ni # 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 2.588640060e+01 nan nan 0.92 2.370192765e+01 nan nan 0.94 2.167028011e+01 nan nan 0.96 1.978126107e+01 nan nan 0.98 1.802539407e+01 1.517789766e+01 nan 1.00 1.639386391e+01 1.405151041e+01 nan 1.02 1.487846316e+01 1.298107953e+01 2.683112898e+01 1.04 1.347154393e+01 1.196509763e+01 2.474991982e+01 1.06 1.216597409e+01 1.100197589e+01 2.280149133e+01 1.08 1.095509766e+01 1.009006254e+01 2.097801020e+01 1.10 9.832698857e+00 9.227659585e+00 1.927208881e+01 1.12 8.792969411e+00 8.413037513e+00 1.767676002e+01 1.14 7.830478774e+00 7.644447820e+00 1.618545316e+01 1.16 6.940147022e+00 6.920134453e+00 1.479197207e+01 1.18 6.117220034e+00 6.238343466e+00 1.349047398e+01 1.20 5.357246822e+00 5.597331392e+00 1.227544971e+01 1.22 4.656058744e+00 4.995372678e+00 1.114170526e+01 1.24 4.009750409e+00 4.430765795e+00 1.008434412e+01 1.26 3.414662131e+00 3.901838557e+00 9.098750772e+00 1.28 2.867363752e+00 3.406952660e+00 8.180575183e+00 1.30 2.364639726e+00 2.944507283e+00 7.325717874e+00 1.32 1.903475324e+00 2.512942199e+00 6.530316094e+00 1.34 1.481043883e+00 2.110740233e+00 5.790730629e+00 1.36 1.094694959e+00 1.736429118e+00 5.103533220e+00 1.38 7.419433562e-01 1.388583018e+00 4.465494854e+00 1.40 4.204589133e-01 1.065823539e+00 3.873574530e+00 1.42 1.280569992e-01 7.668203853e-01 3.324908633e+00 1.44 -1.373103397e-01 4.902917571e-01 2.816800971e+00 1.46 -3.775626483e-01 2.350043910e-01 2.346713223e+00 1.48 -5.944987824e-01 -2.266016397e-04 1.912255962e+00 1.50 -7.898041292e-01 -2.165380939e-01 1.511180179e+00 1.52 -9.650573705e-01 -4.150195376e-01 1.141369191e+00 1.54 -1.121736819e+00 -5.967136608e-01 8.008310666e-01 1.56 -1.261226361e+00 -7.626173172e-01 4.876914424e-01 1.58 -1.384821043e+00 -9.136824656e-01 2.001867050e-01 1.60 -1.493732314e+00 -1.050817204e+00 -6.334238342e-02 1.62 -1.589092960e+00 -1.174886908e+00 -3.044567428e-01 1.64 -1.671961751e+00 -1.286715424e+00 -5.246246815e-01 1.66 -1.743327812e+00 -1.387086296e+00 -7.252272481e-01 1.68 -1.804114745e+00 -1.476744043e+00 -9.075633058e-01 1.70 -1.855184521e+00 -1.556395456e+00 -1.072854292e+00 1.72 -1.897341141e+00 -1.626710902e+00 -1.222248692e+00 1.74 -1.931334102e+00 -1.688325651e+00 -1.356826276e+00 1.76 -1.957861663e+00 -1.741841189e+00 -1.477602053e+00 1.78 -1.977573928e+00 -1.787826530e+00 -1.585530010e+00 1.80 -1.991075766e+00 -1.826819520e+00 -1.681506630e+00 1.82 -1.998929563e+00 -1.859328114e+00 -1.766374188e+00 1.84 -2.001657821e+00 -1.885831650e+00 -1.840923865e+00 1.86 -1.999745618e+00 -1.906782082e+00 -1.905898674e+00 1.88 -1.993642931e+00 -1.922605197e+00 -1.961996213e+00 1.90 -1.983766828e+00 -1.933701801e+00 -2.009871253e+00 1.92 -1.970503539e+00 -1.940448873e+00 -2.050138188e+00 1.94 -1.954210413e+00 -1.943200687e+00 -2.083373329e+00 1.96 -1.935217768e+00 -1.942289907e+00 -2.110117075e+00 1.98 -1.913830628e+00 -1.938028635e+00 -2.130875955e+00 2.00 -1.890330371e+00 -1.930709439e+00 -2.146124561e+00 2.02 -1.864976281e+00 -1.920606333e+00 -2.156307364e+00 2.04 -1.838007005e+00 -1.907975732e+00 -2.161840432e+00 2.06 -1.809641936e+00 -1.893057363e+00 -2.163113057e+00 2.08 -1.780082506e+00 -1.876075150e+00 -2.160489284e+00 2.10 -1.749513410e+00 -1.857238055e+00 -2.154309360e+00 2.12 -1.718103754e+00 -1.836740892e+00 -2.144891107e+00 2.14 -1.686008134e+00 -1.814765104e+00 -2.132531216e+00 2.16 -1.653367658e+00 -1.791479505e+00 -2.117506469e+00 2.18 -1.620310889e+00 -1.767040994e+00 -2.100074905e+00 2.20 -1.586954752e+00 -1.741595233e+00 -2.080476909e+00 2.22 -1.553405367e+00 -1.715277299e+00 -2.058936256e+00 2.24 -1.519758840e+00 -1.688212298e+00 -2.035661090e+00 2.26 -1.486101998e+00 -1.660515959e+00 -2.010844854e+00 2.28 -1.452513085e+00 -1.632295195e+00 -1.984667171e+00 2.30 -1.419062407e+00 -1.603648633e+00 -1.957294673e+00 2.32 -1.385812937e+00 -1.574667127e+00 -1.928881792e+00 2.34 -1.352820877e+00 -1.545434235e+00 -1.899571502e+00 2.36 -1.320136196e+00 -1.516026680e+00 -1.869496026e+00 2.38 -1.287803112e+00 -1.486514781e+00 -1.838777501e+00 2.40 -1.255860560e+00 -1.456962866e+00 -1.807528608e+00 2.42 -1.224342617e+00 -1.427429657e+00 -1.775853167e+00 2.44 -1.193278902e+00 -1.397968644e+00 -1.743846701e+00 2.46 -1.162693112e+00 -1.368628427e+00 -1.711596966e+00 2.48 -1.132479323e+00 -1.339453048e+00 -1.679184452e+00 2.50 -1.102522382e+00 -1.310482302e+00 -1.646682860e+00 2.52 -1.073519478e+00 -1.281752025e+00 -1.614159544e+00 2.54 -1.045063293e+00 -1.253294376e+00 -1.581675937e+00 2.56 -1.017163665e+00 -1.225138091e+00 -1.549287944e+00 2.58 -9.898280818e-01 -1.197308731e+00 -1.517046321e+00 2.60 -9.630619068e-01 -1.169828915e+00 -1.484997024e+00 2.62 -9.368685781e-01 -1.142718528e+00 -1.453181540e+00 2.64 -9.112497983e-01 -1.115994934e+00 -1.421637205e+00 2.66 -8.862057081e-01 -1.089673159e+00 -1.390397492e+00 2.68 -8.617350465e-01 -1.063766075e+00 -1.359492289e+00 2.70 -8.378352978e-01 -1.038284565e+00 -1.328948159e+00 2.72 -8.145028285e-01 -1.013237683e+00 -1.298788582e+00 2.74 -7.917330112e-01 -9.886327977e-01 -1.269034186e+00 2.76 -7.695203402e-01 -9.644757328e-01 -1.239702960e+00 2.78 -7.478585366e-01 -9.407708953e-01 -1.210810453e+00 2.80 -7.267406446e-01 -9.175213950e-01 -1.182369965e+00 2.82 -7.061591202e-01 -8.947291571e-01 -1.154392724e+00 2.84 -6.860398890e-01 -8.723950269e-01 -1.126888046e+00 2.86 -6.625536161e-01 -8.505188671e-01 -1.099863495e+00 2.88 -6.215815915e-01 -8.290996490e-01 -1.073325023e+00 2.90 -5.967439399e-01 -8.081355363e-01 -1.047277105e+00 2.92 -5.798273015e-01 -7.876239643e-01 -1.021722867e+00 2.94 -5.633601111e-01 -7.675617123e-01 -9.966642014e-01 2.96 -5.473332729e-01 -7.479449718e-01 -9.721018749e-01 2.98 -5.317375896e-01 -7.287694084e-01 -9.480356320e-01 3.00 -5.165637964e-01 -7.100302207e-01 -9.244642888e-01 3.02 -5.018025936e-01 -6.912587038e-01 -9.013858206e-01 3.04 -4.874446740e-01 -6.662950992e-01 -8.787974438e-01 3.06 -4.734807482e-01 -6.271386595e-01 -8.566956917e-01 3.08 -4.599015669e-01 -6.104054503e-01 -8.350764846e-01 3.10 -4.466979407e-01 -5.946825179e-01 -8.139351949e-01 3.12 -4.338607575e-01 -5.793349679e-01 -7.932667077e-01 3.14 -4.213809979e-01 -5.643564508e-01 -7.730654759e-01 3.16 -4.092497482e-01 -5.497404877e-01 -7.533255723e-01 3.18 -3.974582126e-01 -5.354804970e-01 -7.340407369e-01 3.20 -3.859977225e-01 -5.215698180e-01 -7.152044206e-01 3.22 -3.748597455e-01 -5.080017329e-01 -6.968098256e-01 3.24 -3.640358922e-01 -4.947694869e-01 -6.788499426e-01 3.26 -3.535179225e-01 -4.818663057e-01 -6.613175848e-01 3.28 -3.432977501e-01 -4.692854121e-01 -6.442054193e-01 3.30 -3.333674469e-01 -4.570200408e-01 -6.275059953e-01 3.32 -3.237192454e-01 -4.450634516e-01 -6.112117710e-01 3.34 -3.143455417e-01 -4.334089413e-01 -5.953151368e-01 3.36 -3.052388960e-01 -4.220498541e-01 -5.798084374e-01 3.38 -2.963920344e-01 -4.109795915e-01 -5.646839916e-01 3.40 -2.877978488e-01 -4.001916205e-01 -5.499341106e-01 3.42 -2.794493965e-01 -3.896794813e-01 -5.355511134e-01 3.44 -2.713399000e-01 -3.794367933e-01 -5.215273426e-01 3.46 -2.634627457e-01 -3.694572614e-01 -5.078551770e-01 3.48 -2.558114826e-01 -3.597346806e-01 -4.943883377e-01 3.50 -2.483798204e-01 -3.502629404e-01 -4.776129954e-01 3.52 -2.411616280e-01 -3.410360283e-01 -4.450398362e-01 3.54 -2.341509309e-01 -3.320480329e-01 -4.057462310e-01 3.56 -2.273419090e-01 -3.232931462e-01 -3.952713121e-01 3.58 -2.207288944e-01 -3.147656661e-01 -3.850596761e-01 3.60 -2.143063680e-01 -3.064599973e-01 -3.751052706e-01 3.62 -2.080689574e-01 -2.983706528e-01 -3.654021316e-01 3.64 -2.020114340e-01 -2.904922548e-01 -3.559443867e-01 3.66 -1.961287094e-01 -2.828195348e-01 -3.467262587e-01 3.68 -1.904158335e-01 -2.753473341e-01 -3.377420679e-01 3.70 -1.848679903e-01 -2.680706035e-01 -3.289862342e-01 3.72 -1.794804960e-01 -2.609844029e-01 -3.204532790e-01 3.74 -1.742487950e-01 -2.540839010e-01 -3.121378261e-01 3.76 -1.691684574e-01 -2.473643742e-01 -3.040346029e-01 3.78 -1.642351758e-01 -2.408212060e-01 -2.961384409e-01 3.80 -1.594447623e-01 -2.344498857e-01 -2.884442759e-01 3.82 -1.547931453e-01 -2.282460072e-01 -2.809471482e-01 3.84 -1.502763670e-01 -2.222052680e-01 -2.736422020e-01 3.86 -1.458905799e-01 -2.163234671e-01 -2.665246856e-01 3.88 -1.416320443e-01 -2.105965043e-01 -2.595899501e-01 3.90 -1.374971254e-01 -2.050203780e-01 -2.528334491e-01 3.92 -1.334822903e-01 -1.995911838e-01 -2.462507375e-01 3.94 -1.295841054e-01 -1.943051130e-01 -2.398374705e-01 3.96 -1.257992339e-01 -1.891584503e-01 -2.335894023e-01 3.98 -1.221244328e-01 -1.841475727e-01 -2.275023853e-01 4.00 -1.185565505e-01 -1.792689471e-01 -2.215723678e-01 4.02 -1.150925990e-01 -1.745191291e-01 -2.157953936e-01 4.04 -1.117305339e-01 -1.698947605e-01 -2.101675997e-01 4.06 -1.084690767e-01 -1.653925681e-01 -2.046852149e-01 4.08 -1.053034210e-01 -1.610093615e-01 -1.993445586e-01 4.10 -1.022251833e-01 -1.567420313e-01 -1.941420387e-01 4.12 -9.923668478e-02 -1.525875474e-01 -1.890741500e-01 4.14 -9.633546558e-02 -1.485429571e-01 -1.841374727e-01 4.16 -9.351901357e-02 -1.446053835e-01 -1.793286706e-01 4.18 -9.078488797e-02 -1.407720235e-01 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