# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Ko-W-S-Shim-J-H-Lee-B-J--Ni-H # implementation = 2011--Ko-W-S--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 4.288252258e+01 nan nan 0.80 3.951737032e+01 nan nan 0.82 3.638558179e+01 nan nan 0.84 3.347097622e+01 2.472762682e+01 nan 0.86 3.075861324e+01 2.317941962e+01 4.937096513e+01 0.88 2.823468184e+01 2.169326288e+01 4.588229570e+01 0.90 2.588640058e+01 2.026899260e+01 4.260874390e+01 0.92 2.370192763e+01 1.890614464e+01 3.953777900e+01 0.94 2.167028008e+01 1.760399817e+01 3.665758805e+01 0.96 1.978126104e+01 1.636161371e+01 3.395703326e+01 0.98 1.802539404e+01 1.517786760e+01 3.142561297e+01 1.00 1.639386387e+01 1.405148223e+01 2.905342437e+01 1.02 1.487846313e+01 1.298105313e+01 2.683112894e+01 1.04 1.347154390e+01 1.196507302e+01 2.474991984e+01 1.06 1.216597406e+01 1.100195295e+01 2.280149131e+01 1.08 1.095509764e+01 1.009004123e+01 2.097801019e+01 1.10 9.832698837e+00 9.227639840e+00 1.927208881e+01 1.12 8.792969391e+00 8.413019239e+00 1.767676001e+01 1.14 7.830478759e+00 7.644430955e+00 1.618545315e+01 1.16 6.940147009e+00 6.920118943e+00 1.479197208e+01 1.18 6.117220022e+00 6.238329210e+00 1.349047396e+01 1.20 5.357246812e+00 5.597318352e+00 1.227544971e+01 1.22 4.656058735e+00 4.995360772e+00 1.114170525e+01 1.24 4.009750401e+00 4.430754950e+00 1.008434410e+01 1.26 3.414662124e+00 3.901828729e+00 9.098750776e+00 1.28 2.867363745e+00 3.406943769e+00 8.180575174e+00 1.30 2.364639718e+00 2.944499279e+00 7.325717869e+00 1.32 1.903475318e+00 2.512935026e+00 6.530316094e+00 1.34 1.481043877e+00 2.110733830e+00 5.790730624e+00 1.36 1.094694953e+00 1.736423435e+00 5.103533215e+00 1.38 7.419433513e-01 1.388578010e+00 4.465494856e+00 1.40 4.204589085e-01 1.065819149e+00 3.873574524e+00 1.42 1.280569954e-01 7.668165769e-01 3.324908633e+00 1.44 -1.373103429e-01 4.902884829e-01 2.816800970e+00 1.46 -3.775626510e-01 2.350016088e-01 2.346713219e+00 1.48 -5.944987843e-01 -2.289243652e-04 1.912255963e+00 1.50 -7.898041306e-01 -2.165399994e-01 1.511180176e+00 1.52 -9.650573715e-01 -4.150210571e-01 1.141369189e+00 1.54 -1.121736819e+00 -5.967148261e-01 8.008310666e-01 1.56 -1.261226361e+00 -7.626181602e-01 4.876914411e-01 1.58 -1.384821043e+00 -9.136830138e-01 2.001867037e-01 1.60 -1.493732314e+00 -1.050817483e+00 -6.334238286e-02 1.62 -1.589092960e+00 -1.174886945e+00 -3.044567444e-01 1.64 -1.671961751e+00 -1.286715240e+00 -5.246246815e-01 1.66 -1.743327812e+00 -1.387085913e+00 -7.252272484e-01 1.68 -1.804114745e+00 -1.476743481e+00 -9.075633069e-01 1.70 -1.855184521e+00 -1.556394733e+00 -1.072854291e+00 1.72 -1.897341141e+00 -1.626710037e+00 -1.222248693e+00 1.74 -1.931334102e+00 -1.688324660e+00 -1.356826277e+00 1.76 -1.957861662e+00 -1.741840087e+00 -1.477602053e+00 1.78 -1.977573927e+00 -1.787825330e+00 -1.585530011e+00 1.80 -1.991075765e+00 -1.826818234e+00 -1.681506630e+00 1.82 -1.998929562e+00 -1.859326755e+00 -1.766374188e+00 1.84 -2.001657820e+00 -1.885830229e+00 -1.840923865e+00 1.86 -1.999745617e+00 -1.906780608e+00 -1.905898674e+00 1.88 -1.993642930e+00 -1.922603680e+00 -1.961996213e+00 1.90 -1.983766827e+00 -1.933700248e+00 -2.009871253e+00 1.92 -1.970503538e+00 -1.940447292e+00 -2.050138188e+00 1.94 -1.954210412e+00 -1.943199086e+00 -2.083373329e+00 1.96 -1.935213066e+00 -1.942288291e+00 -2.110117075e+00 1.98 -1.913483304e+00 -1.938027011e+00 -2.130875955e+00 2.00 -1.888930770e+00 -1.930707811e+00 -2.146124561e+00 2.02 -1.863617353e+00 -1.920604706e+00 -2.156307364e+00 2.04 -1.836688894e+00 -1.907974110e+00 -2.161840432e+00 2.06 -1.808364648e+00 -1.893055750e+00 -2.163113057e+00 2.08 -1.778845925e+00 -1.876073549e+00 -2.160489284e+00 2.10 -1.748317310e+00 -1.857236469e+00 -2.154309360e+00 2.12 -1.716947809e+00 -1.836739325e+00 -2.144891107e+00 2.14 -1.684891929e+00 -1.814763557e+00 -2.132531216e+00 2.16 -1.652290698e+00 -1.791477980e+00 -2.117506469e+00 2.18 -1.619272610e+00 -1.767039493e+00 -2.100074905e+00 2.20 -1.585954526e+00 -1.741593758e+00 -2.080476909e+00 2.22 -1.552442512e+00 -1.715275850e+00 -2.058936256e+00 2.24 -1.518832626e+00 -1.688210877e+00 -2.035661090e+00 2.26 -1.485152058e+00 -1.660514567e+00 -2.010844854e+00 2.28 -1.443981940e+00 -1.632293832e+00 -1.984667171e+00 2.30 -1.361358466e+00 -1.603647300e+00 -1.957294673e+00 2.32 -1.304131018e+00 -1.574665824e+00 -1.928881791e+00 2.34 -1.273371763e+00 -1.545432963e+00 -1.899571502e+00 2.36 -1.242887502e+00 -1.516025439e+00 -1.869496026e+00 2.38 -1.212720928e+00 -1.486513571e+00 -1.838777501e+00 2.40 -1.182909629e+00 -1.456794375e+00 -1.807528608e+00 2.42 -1.153486509e+00 -1.418839702e+00 -1.775853167e+00 2.44 -1.124480175e+00 -1.345930674e+00 -1.743846701e+00 2.46 -1.095915295e+00 -1.297441761e+00 -1.711596966e+00 2.48 -1.067812936e+00 -1.270034931e+00 -1.679184452e+00 2.50 -1.040190876e+00 -1.242810782e+00 -1.646682860e+00 2.52 -1.013063889e+00 -1.215804022e+00 -1.614159544e+00 2.54 -9.864440201e-01 -1.189045800e+00 -1.581675937e+00 2.56 -9.603408302e-01 -1.162563955e+00 -1.549287944e+00 2.58 -9.347616274e-01 -1.136383253e+00 -1.517046321e+00 2.60 -9.097116803e-01 -1.110525612e+00 -1.484997023e+00 2.62 -8.851944155e-01 -1.085010312e+00 -1.453181540e+00 2.64 -8.612115992e-01 -1.059854191e+00 -1.421637205e+00 2.66 -8.377635053e-01 -1.035071833e+00 -1.390397492e+00 2.68 -8.148490702e-01 -1.010675739e+00 -1.359492289e+00 2.70 -7.924660351e-01 -9.866764909e-01 -1.328948159e+00 2.72 -7.706110772e-01 -9.630829073e-01 -1.298788582e+00 2.74 -7.492799298e-01 -9.399021824e-01 -1.269034186e+00 2.76 -7.284674931e-01 -9.171400221e-01 -1.239702737e+00 2.78 -7.081679351e-01 -8.948007685e-01 -1.208850488e+00 2.80 -6.883747844e-01 -8.728875162e-01 -1.157405859e+00 2.82 -6.690810146e-01 -8.514022217e-01 -1.044553923e+00 2.84 -6.502791219e-01 -8.303458049e-01 -9.857510723e-01 2.86 -6.319611952e-01 -8.097182429e-01 -9.624699811e-01 2.88 -6.141189807e-01 -7.895186588e-01 -9.395997902e-01 2.90 -5.967439396e-01 -7.697454028e-01 -9.171449917e-01 2.92 -5.798273012e-01 -7.503961286e-01 -8.951088515e-01 2.94 -5.633601108e-01 -7.314678633e-01 -8.734935154e-01 2.96 -5.473332727e-01 -7.129570733e-01 -8.523001078e-01 2.98 -5.317375893e-01 -6.948597243e-01 -8.315288247e-01 3.00 -5.165637962e-01 -6.771713374e-01 -8.111790185e-01 3.02 -5.018025934e-01 -6.598870408e-01 -7.912492789e-01 3.04 -4.874446739e-01 -6.430016175e-01 -7.717375061e-01 3.06 -4.734807480e-01 -6.265095493e-01 -7.526409805e-01 3.08 -4.599015667e-01 -6.104050572e-01 -7.339564257e-01 3.10 -4.466979405e-01 -5.946821389e-01 -7.156800685e-01 3.12 -4.338607574e-01 -5.793346025e-01 -6.978076926e-01 3.14 -4.213809977e-01 -5.643560986e-01 -6.803346903e-01 3.16 -4.092497481e-01 -5.497401483e-01 -6.632561084e-01 3.18 -3.974582125e-01 -5.354801699e-01 -6.465666915e-01 3.20 -3.859991900e-01 -5.215695029e-01 -6.302609219e-01 3.22 -3.748951019e-01 -5.080014294e-01 -6.143330560e-01 3.24 -3.642098275e-01 -4.947691946e-01 -5.987771577e-01 3.26 -3.539013486e-01 -4.818660241e-01 -5.835871295e-01 3.28 -3.436734672e-01 -4.692851410e-01 -5.687567406e-01 3.30 -3.337102157e-01 -4.570197799e-01 -5.542796527e-01 3.32 -3.240319431e-01 -4.450632005e-01 -5.401494437e-01 3.34 -3.146307953e-01 -4.334086996e-01 -5.263596291e-01 3.36 -3.054991042e-01 -4.220496215e-01 -5.129036816e-01 3.38 -2.966293872e-01 -4.109793318e-01 -4.997750489e-01 3.40 -2.880143456e-01 -3.999631384e-01 -4.869671700e-01 3.42 -2.796468626e-01 -3.866651376e-01 -4.744734894e-01 3.44 -2.715200016e-01 -3.623767751e-01 -4.622874705e-01 3.46 -2.636270039e-01 -3.086290381e-01 -4.504026075e-01 3.48 -2.559612857e-01 -2.942660993e-01 -4.388124357e-01 3.50 -2.484958978e-01 -2.866129129e-01 -4.275105411e-01 3.52 -2.401685296e-01 -2.791557390e-01 -4.164905689e-01 3.54 -2.230093279e-01 -2.718898449e-01 -4.057462310e-01 3.56 -1.514152140e-01 -2.648105820e-01 -3.952713121e-01 3.58 -3.785668630e-04 -2.579133879e-01 -3.850596761e-01 3.60 -3.522250469e-04 -2.511937869e-01 -3.751052706e-01 3.62 -3.276983839e-04 -2.446473916e-01 -3.654021316e-01 3.64 -3.048632828e-04 -2.382699029e-01 -3.559443867e-01 3.66 -2.836044424e-04 -2.320571106e-01 -3.467262587e-01 3.68 -2.638143058e-04 -2.260048934e-01 -3.377420679e-01 3.70 -2.453925499e-04 -2.201092186e-01 -3.289862342e-01 3.72 -2.282456083e-04 -2.143661421e-01 -3.204532790e-01 3.74 -2.122862237e-04 -2.087718075e-01 -3.121378261e-01 3.76 -1.974330310e-04 -2.033224457e-01 -3.040346029e-01 3.78 -1.836101652e-04 -1.980143740e-01 -2.961384409e-01 3.80 -1.707468969e-04 -1.928439950e-01 -2.884442759e-01 3.82 -1.587772896e-04 -1.878077960e-01 -2.809471482e-01 3.84 -1.476398807e-04 -1.829023473e-01 -2.736422020e-01 3.86 -1.372773824e-04 -1.781243016e-01 -2.665246856e-01 3.88 -1.276364030e-04 -1.734703923e-01 -2.595899501e-01 3.90 -1.186671853e-04 -1.689374323e-01 -2.528334491e-01 3.92 -1.100499471e-04 -1.644495658e-01 -2.461432120e-01 3.94 -9.850772194e-05 -1.589737398e-01 -2.379885730e-01 3.96 -7.668609656e-05 -1.468687083e-01 -2.199477347e-01 3.98 -3.807800454e-05 -1.020052244e-01 -1.528484568e-01 4.00 -1.640871623e-26 -7.286746878e-23 -8.097954204e-23 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 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00