# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2011--Du-Y-A-Lenosky-T-J-Hennig-R-G-et-al--Si # implementation = 2011--Du-Y-A--Si--LAMMPS--ipr1 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r Si Si 0.02 1.293985861e+00 0.04 1.256779259e+00 0.06 1.219503040e+00 0.08 1.182156964e+00 0.10 1.144740790e+00 0.12 1.107254279e+00 0.14 1.069697191e+00 0.16 1.032069285e+00 0.18 9.943703201e-01 0.20 9.566000573e-01 0.22 9.187582561e-01 0.24 8.808446762e-01 0.26 8.428590773e-01 0.28 8.048012194e-01 0.30 7.666708622e-01 0.32 7.284677654e-01 0.34 6.901916889e-01 0.36 6.518423925e-01 0.38 6.134196359e-01 0.40 5.749231790e-01 0.42 5.363527815e-01 0.44 4.977082032e-01 0.46 4.589892040e-01 0.48 4.201955436e-01 0.50 3.813269819e-01 0.52 3.423832785e-01 0.54 3.033641934e-01 0.56 2.642694862e-01 0.58 2.250989169e-01 0.60 1.858522451e-01 0.62 1.465292307e-01 0.64 1.071296335e-01 0.66 6.765321319e-02 0.68 2.809972968e-02 0.70 -1.153105727e-02 0.72 -5.123938789e-02 0.74 -9.102550236e-02 0.76 -1.308896409e-01 0.78 -1.708320437e-01 0.80 -2.108529510e-01 0.82 -2.509526030e-01 0.84 -2.911312399e-01 0.86 -3.313891019e-01 0.88 -3.717264292e-01 0.90 -4.121434620e-01 0.92 -4.526404405e-01 0.94 -4.932176050e-01 0.96 -5.338751956e-01 0.98 -5.746134526e-01 1.00 -6.154326160e-01 1.02 -6.563329263e-01 1.04 -6.973146235e-01 1.06 -7.383779479e-01 1.08 -7.795231397e-01 1.10 -8.207504390e-01 1.12 -8.620600861e-01 1.14 -9.034523213e-01 1.16 -9.449273846e-01 1.18 -9.864855163e-01 1.20 -1.028126957e+00 1.22 -1.069851946e+00 1.24 -1.111660724e+00 1.26 -1.153553532e+00 1.28 -1.195530608e+00 1.30 -1.237592195e+00 1.32 -1.279738531e+00 1.34 -1.321969858e+00 1.36 -1.364286415e+00 1.38 -1.406688442e+00 1.40 -1.449176180e+00 1.42 -1.491749868e+00 1.44 -1.534409748e+00 1.46 -1.577156059e+00 1.48 -1.619989042e+00 1.50 -1.662908937e+00 1.52 -1.705915983e+00 1.54 -1.749010421e+00 1.56 -1.792192492e+00 1.58 -1.835462435e+00 1.60 -1.878820492e+00 1.62 -1.922266901e+00 1.64 -1.965801903e+00 1.66 -2.009425738e+00 1.68 -2.053138648e+00 1.70 -2.096940871e+00 1.72 -2.140832647e+00 1.74 -2.184814219e+00 1.76 -2.228885824e+00 1.78 -2.273047704e+00 1.80 -2.317300099e+00 1.82 -2.361643249e+00 1.84 -2.406077394e+00 1.86 -2.450602775e+00 1.88 -2.495219631e+00 1.90 -2.539928204e+00 1.92 -2.584728732e+00 1.94 -2.629621456e+00 1.96 -2.674606617e+00 1.98 -2.719684455e+00 2.00 -2.764855209e+00 2.02 -2.810119121e+00 2.04 -2.855476430e+00 2.06 -2.900927376e+00 2.08 -2.944877316e+00 2.10 -2.982009896e+00 2.12 -3.012125777e+00 2.14 -3.035488270e+00 2.16 -3.052368000e+00 2.18 -3.063041805e+00 2.20 -3.067791696e+00 2.22 -3.066903892e+00 2.24 -3.060667915e+00 2.26 -3.049375771e+00 2.28 -3.033321198e+00 2.30 -3.012799000e+00 2.32 -2.988104453e+00 2.34 -2.959532797e+00 2.36 -2.927378806e+00 2.38 -2.891936441e+00 2.40 -2.853498576e+00 2.42 -2.812356821e+00 2.44 -2.768777900e+00 2.46 -2.722815979e+00 2.48 -2.674413450e+00 2.50 -2.623512215e+00 2.52 -2.570054721e+00 2.54 -2.514011057e+00 2.56 -2.455464012e+00 2.58 -2.394526026e+00 2.60 -2.331310244e+00 2.62 -2.265930576e+00 2.64 -2.198501781e+00 2.66 -2.129139549e+00 2.68 -2.057960599e+00 2.70 -1.985082785e+00 2.72 -1.910625216e+00 2.74 -1.834708379e+00 2.76 -1.757454273e+00 2.78 -1.678986556e+00 2.80 -1.599455300e+00 2.82 -1.519178715e+00 2.84 -1.438543395e+00 2.86 -1.357934378e+00 2.88 -1.277734670e+00 2.90 -1.198325048e+00 2.92 -1.120083894e+00 2.94 -1.043387077e+00 2.96 -9.686078624e-01 2.98 -8.961153410e-01 3.00 -8.261775030e-01 3.02 -7.589031653e-01 3.04 -6.943846424e-01 3.06 -6.327117850e-01 3.08 -5.739721131e-01 3.10 -5.182509824e-01 3.12 -4.656317835e-01 3.14 -4.161961741e-01 3.16 -3.700025118e-01 3.18 -3.269951805e-01 3.20 -2.870826543e-01 3.22 -2.501743777e-01 3.24 -2.161807497e-01 3.26 -1.850130906e-01 3.28 -1.565836102e-01 3.30 -1.308053765e-01 3.32 -1.075922859e-01 3.34 -8.685903418e-02 3.36 -6.852108827e-02 3.38 -5.249465919e-02 3.40 -3.869667567e-02 3.42 -2.704475867e-02 3.44 -1.745804008e-02 3.46 -9.866377615e-03 3.48 -4.206888244e-03 3.50 -4.174035502e-04 3.52 2.127455960e-03 3.54 4.044242417e-03 3.56 5.381448039e-03 3.58 6.187565046e-03 3.60 6.511085655e-03 3.62 6.400502085e-03 3.64 5.904306553e-03 3.66 5.070991279e-03 3.68 3.949048480e-03 3.70 2.586970376e-03 3.72 1.033249183e-03 3.74 -6.636228797e-04 3.76 -2.455153593e-03 3.78 -4.292850740e-03 3.80 -6.128222101e-03 3.82 -7.912775459e-03 3.84 -9.598018595e-03 3.86 -1.113545929e-02 3.88 -1.247660533e-02 3.90 -1.358324206e-02 3.92 -1.445897923e-02 3.94 -1.511806434e-02 3.96 -1.557474486e-02 3.98 -1.584326826e-02 4.00 -1.593788204e-02 4.02 -1.587283368e-02 4.04 -1.566237065e-02 4.06 -1.532074044e-02 4.08 -1.486219053e-02 4.10 -1.430096839e-02 4.12 -1.365132153e-02 4.14 -1.292749740e-02 4.16 -1.214374350e-02 4.18 -1.131430731e-02 4.20 -1.045343631e-02 4.22 -9.575377975e-03 4.24 -8.694379794e-03 4.26 -7.824689248e-03 4.28 -6.980553816e-03 4.30 -6.176220981e-03 4.32 -5.425938225e-03 4.34 -4.743842732e-03 4.36 -4.137267794e-03 4.38 -3.602892264e-03 4.40 -3.136465692e-03 4.42 -2.733737627e-03 4.44 -2.390457620e-03 4.46 -2.102375223e-03 4.48 -1.865239985e-03 4.50 -1.674801457e-03 4.52 -1.526809190e-03 4.54 -1.417012734e-03 4.56 -1.341161640e-03 4.58 -1.295005458e-03 4.60 -1.274293738e-03 4.62 -1.274776032e-03 4.64 -1.292201890e-03 4.66 -1.322320862e-03 4.68 -1.360882499e-03 4.70 -1.403636351e-03 4.72 -1.446331969e-03 4.74 -1.484718904e-03 4.76 -1.514546706e-03 4.78 -1.531564925e-03 4.80 -1.531810452e-03 4.82 -1.514683793e-03 4.84 -1.481766651e-03 4.86 -1.434677582e-03 4.88 -1.375035144e-03 4.90 -1.304457892e-03 4.92 -1.224564385e-03 4.94 -1.136973179e-03 4.96 -1.043302831e-03 4.98 -9.451718989e-04 5.00 -8.441989387e-04 5.02 -7.420025077e-04 5.04 -6.402011630e-04 5.06 -5.404134616e-04 5.08 -4.442579604e-04 5.10 -3.533532164e-04 5.12 -2.693177867e-04 5.14 -1.937702283e-04 5.16 -1.283290981e-04 5.18 -7.461295319e-05 5.20 -3.424035053e-05 5.22 -8.829847132e-06 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00 6.02 0.000000000e+00 6.04 0.000000000e+00 6.06 0.000000000e+00 6.08 0.000000000e+00 6.10 0.000000000e+00 6.12 0.000000000e+00 6.14 0.000000000e+00 6.16 0.000000000e+00 6.18 0.000000000e+00 6.20 0.000000000e+00 6.22 0.000000000e+00 6.24 0.000000000e+00 6.26 0.000000000e+00 6.28 0.000000000e+00 6.30 0.000000000e+00 6.32 0.000000000e+00 6.34 0.000000000e+00 6.36 0.000000000e+00 6.38 0.000000000e+00 6.40 0.000000000e+00 6.42 0.000000000e+00 6.44 0.000000000e+00 6.46 0.000000000e+00 6.48 0.000000000e+00 6.50 0.000000000e+00 6.52 0.000000000e+00 6.54 0.000000000e+00 6.56 0.000000000e+00 6.58 0.000000000e+00 6.60 0.000000000e+00 6.62 0.000000000e+00 6.64 0.000000000e+00 6.66 0.000000000e+00 6.68 0.000000000e+00 6.70 0.000000000e+00 6.72 0.000000000e+00 6.74 0.000000000e+00 6.76 0.000000000e+00 6.78 0.000000000e+00 6.80 0.000000000e+00 6.82 0.000000000e+00 6.84 0.000000000e+00 6.86 0.000000000e+00 6.88 0.000000000e+00 6.90 0.000000000e+00 6.92 0.000000000e+00 6.94 0.000000000e+00 6.96 0.000000000e+00 6.98 0.000000000e+00 7.00 0.000000000e+00 7.02 0.000000000e+00 7.04 0.000000000e+00 7.06 0.000000000e+00 7.08 0.000000000e+00 7.10 0.000000000e+00 7.12 0.000000000e+00 7.14 0.000000000e+00 7.16 0.000000000e+00 7.18 0.000000000e+00 7.20 0.000000000e+00 7.22 0.000000000e+00 7.24 0.000000000e+00 7.26 0.000000000e+00 7.28 0.000000000e+00 7.30 0.000000000e+00 7.32 0.000000000e+00 7.34 0.000000000e+00 7.36 0.000000000e+00 7.38 0.000000000e+00 7.40 0.000000000e+00 7.42 0.000000000e+00 7.44 0.000000000e+00 7.46 0.000000000e+00 7.48 0.000000000e+00 7.50 0.000000000e+00 7.52 0.000000000e+00 7.54 0.000000000e+00 7.56 0.000000000e+00 7.58 0.000000000e+00 7.60 0.000000000e+00 7.62 0.000000000e+00 7.64 0.000000000e+00 7.66 0.000000000e+00 7.68 0.000000000e+00 7.70 0.000000000e+00 7.72 0.000000000e+00 7.74 0.000000000e+00 7.76 0.000000000e+00 7.78 0.000000000e+00 7.80 0.000000000e+00 7.82 0.000000000e+00 7.84 0.000000000e+00 7.86 0.000000000e+00 7.88 0.000000000e+00 7.90 0.000000000e+00 7.92 0.000000000e+00 7.94 0.000000000e+00 7.96 0.000000000e+00 7.98 0.000000000e+00 8.00 0.000000000e+00 8.02 0.000000000e+00 8.04 0.000000000e+00 8.06 0.000000000e+00 8.08 0.000000000e+00 8.10 0.000000000e+00 8.12 0.000000000e+00 8.14 0.000000000e+00 8.16 0.000000000e+00 8.18 0.000000000e+00 8.20 0.000000000e+00 8.22 0.000000000e+00 8.24 0.000000000e+00 8.26 0.000000000e+00 8.28 0.000000000e+00 8.30 0.000000000e+00 8.32 0.000000000e+00 8.34 0.000000000e+00 8.36 0.000000000e+00 8.38 0.000000000e+00 8.40 0.000000000e+00 8.42 0.000000000e+00 8.44 0.000000000e+00 8.46 0.000000000e+00 8.48 0.000000000e+00 8.50 0.000000000e+00 8.52 0.000000000e+00 8.54 0.000000000e+00 8.56 0.000000000e+00 8.58 0.000000000e+00 8.60 0.000000000e+00 8.62 0.000000000e+00 8.64 0.000000000e+00 8.66 0.000000000e+00 8.68 0.000000000e+00 8.70 0.000000000e+00 8.72 0.000000000e+00 8.74 0.000000000e+00 8.76 0.000000000e+00 8.78 0.000000000e+00 8.80 0.000000000e+00 8.82 0.000000000e+00 8.84 0.000000000e+00 8.86 0.000000000e+00 8.88 0.000000000e+00 8.90 0.000000000e+00 8.92 0.000000000e+00 8.94 0.000000000e+00 8.96 0.000000000e+00 8.98 0.000000000e+00 9.00 0.000000000e+00 9.02 0.000000000e+00 9.04 0.000000000e+00 9.06 0.000000000e+00 9.08 0.000000000e+00 9.10 0.000000000e+00 9.12 0.000000000e+00 9.14 0.000000000e+00 9.16 0.000000000e+00 9.18 0.000000000e+00 9.20 0.000000000e+00 9.22 0.000000000e+00 9.24 0.000000000e+00 9.26 0.000000000e+00 9.28 0.000000000e+00 9.30 0.000000000e+00 9.32 0.000000000e+00 9.34 0.000000000e+00 9.36 0.000000000e+00 9.38 0.000000000e+00 9.40 0.000000000e+00 9.42 0.000000000e+00 9.44 0.000000000e+00 9.46 0.000000000e+00 9.48 0.000000000e+00 9.50 0.000000000e+00 9.52 0.000000000e+00 9.54 0.000000000e+00 9.56 0.000000000e+00 9.58 0.000000000e+00 9.60 0.000000000e+00 9.62 0.000000000e+00 9.64 0.000000000e+00 9.66 0.000000000e+00 9.68 0.000000000e+00 9.70 0.000000000e+00 9.72 0.000000000e+00 9.74 0.000000000e+00 9.76 0.000000000e+00 9.78 0.000000000e+00 9.80 0.000000000e+00 9.82 0.000000000e+00 9.84 0.000000000e+00 9.86 0.000000000e+00 9.88 0.000000000e+00 9.90 0.000000000e+00 9.92 0.000000000e+00 9.94 0.000000000e+00 9.96 0.000000000e+00 9.98 0.000000000e+00 10.00 0.000000000e+00