# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Los-J-H-Kroes-J-M-H-Albe-K-et-al--B-N # implementation = 2017--Los-J-H--B-N--LAMMPS--ipr1 # composition = B # 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 A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan 5.113110356e+03 nan nan 6.333443947e+03 nan 0.52 nan nan nan nan nan 4.365007494e+03 nan nan 5.387219394e+03 nan 0.54 nan 6.837847246e+03 nan nan nan 3.738826747e+03 nan nan 4.569507712e+03 6.861679450e+03 0.56 nan 5.860611157e+03 nan nan nan 3.179340419e+03 5.991566108e+03 nan 3.875589011e+03 5.896481608e+03 0.58 nan 5.028348678e+03 nan nan nan 2.685940191e+03 5.172444398e+03 nan 3.278941630e+03 5.074501559e+03 0.60 nan 4.337796510e+03 6.264652312e+03 nan 7.135869302e+03 2.283193081e+03 4.477362041e+03 6.529963126e+03 2.773078174e+03 4.397872206e+03 0.62 6.197742887e+03 3.756754117e+03 5.442469998e+03 6.184956448e+03 6.195013201e+03 1.954329802e+03 3.884149709e+03 5.701739500e+03 2.357674582e+03 3.799678271e+03 0.64 5.426939041e+03 3.259225031e+03 4.783570675e+03 5.400618360e+03 5.389325893e+03 1.679693518e+03 3.368686782e+03 4.986571920e+03 2.022500091e+03 3.254543964e+03 0.66 4.756270764e+03 2.845779439e+03 4.228123882e+03 4.736529112e+03 4.712415863e+03 1.441659748e+03 2.894569055e+03 4.381702054e+03 1.753528338e+03 2.776171394e+03 0.68 4.191101365e+03 2.474462860e+03 3.718188457e+03 4.177856365e+03 4.151046897e+03 1.220244387e+03 2.466514500e+03 3.857192151e+03 1.535072146e+03 2.375923072e+03 0.70 3.699015267e+03 2.127537134e+03 3.264552898e+03 3.696183070e+03 3.683131648e+03 1.019627435e+03 2.107711908e+03 3.386484552e+03 1.345639835e+03 2.054395112e+03 0.72 3.248410678e+03 1.825875775e+03 2.865454925e+03 3.259528786e+03 3.268495047e+03 8.505318020e+02 1.820516478e+03 2.960783559e+03 1.168209266e+03 1.803499776e+03 0.74 2.850619675e+03 1.567114894e+03 2.509355806e+03 2.863018176e+03 2.883991511e+03 7.154195262e+02 1.588376240e+03 2.580140861e+03 1.007297453e+03 1.616286211e+03 0.76 2.485581934e+03 1.348037728e+03 2.178950369e+03 2.502417337e+03 2.528610386e+03 6.059519913e+02 1.403603048e+03 2.237573588e+03 8.626798274e+02 1.448313078e+03 0.78 2.160063247e+03 1.176187238e+03 1.884316935e+03 2.179833002e+03 2.201763776e+03 5.233846445e+02 1.252832876e+03 1.944196699e+03 7.312287588e+02 1.290079657e+03 0.80 1.886812642e+03 1.042491088e+03 1.621965651e+03 1.899510169e+03 1.908928794e+03 4.537931010e+02 1.119692399e+03 1.707131157e+03 6.145044533e+02 1.140406529e+03 0.82 1.669205835e+03 9.311740789e+02 1.392832287e+03 1.668416576e+03 1.662097603e+03 3.892986979e+02 9.998900376e+02 1.518806799e+03 5.177791545e+02 9.958550502e+02 0.84 1.495225163e+03 8.236081688e+02 1.209372003e+03 1.477555997e+03 1.458913141e+03 3.331716045e+02 8.896335117e+02 1.354011611e+03 4.361976711e+02 8.522865905e+02 0.86 1.333191203e+03 7.186344580e+02 1.077179769e+03 1.309326227e+03 1.287122315e+03 2.875783066e+02 7.860383282e+02 1.200696302e+03 3.651423407e+02 7.183128792e+02 0.88 1.181574761e+03 6.213162108e+02 9.794635207e+02 1.160539985e+03 1.140176078e+03 2.530533834e+02 6.853932764e+02 1.063141315e+03 3.046932371e+02 6.016676951e+02 0.90 1.045987213e+03 5.358295628e+02 8.964039026e+02 1.031346004e+03 1.016704795e+03 2.245297344e+02 5.846800408e+02 9.388593846e+02 2.568265891e+02 5.080742168e+02 0.92 9.234350343e+02 4.637092848e+02 8.205046818e+02 9.183779013e+02 9.133207645e+02 2.004626638e+02 4.892276575e+02 8.268506807e+02 2.207436596e+02 4.299703441e+02 0.94 8.122674937e+02 4.055666627e+02 7.501512413e+02 8.186794063e+02 8.250913127e+02 1.808545990e+02 4.039903093e+02 7.295285595e+02 1.926121817e+02 3.624836108e+02 0.96 7.165514478e+02 3.602902316e+02 6.800095264e+02 7.304847644e+02 7.444180736e+02 1.634096260e+02 3.317261381e+02 6.457902390e+02 1.697248890e+02 3.084056859e+02 0.98 6.388248538e+02 3.216346276e+02 6.044053414e+02 6.543666652e+02 6.699084703e+02 1.449255645e+02 2.725503436e+02 5.764201200e+02 1.502994892e+02 2.690720505e+02 1.00 5.753523303e+02 2.837208238e+02 5.267596866e+02 5.882599647e+02 6.011675952e+02 1.259128454e+02 2.270445764e+02 5.180095354e+02 1.339961710e+02 2.404016679e+02 1.02 5.177704028e+02 2.452811408e+02 4.509212525e+02 5.267212966e+02 5.356721886e+02 1.073328229e+02 1.939892852e+02 4.647808088e+02 1.189369339e+02 2.145883488e+02 1.04 4.668594379e+02 2.074252698e+02 3.802449300e+02 4.710580882e+02 4.752567389e+02 9.001092709e+01 1.692146538e+02 4.155379219e+02 1.044454834e+02 1.917989127e+02 1.06 4.186997070e+02 1.717056877e+02 3.175159492e+02 4.183990370e+02 4.180983688e+02 7.458393897e+01 1.508699119e+02 3.674780137e+02 9.091918151e+01 1.710926822e+02 1.08 3.709942843e+02 1.394403514e+02 2.648980438e+02 3.672045457e+02 3.634148097e+02 6.147821382e+01 1.351596904e+02 3.213309139e+02 7.867482091e+01 1.518838539e+02 1.10 3.256433159e+02 1.118076544e+02 2.238302234e+02 3.194976542e+02 3.133519951e+02 5.091105118e+01 1.215098094e+02 2.766247469e+02 6.792944438e+01 1.345708996e+02 1.12 2.820421842e+02 8.874712786e+01 1.922908812e+02 2.751477690e+02 2.682533559e+02 4.236283960e+01 1.094206023e+02 2.342307988e+02 5.853657839e+01 1.185665847e+02 1.14 2.397234444e+02 6.998756154e+01 1.674383562e+02 2.339252337e+02 2.281270245e+02 3.513040762e+01 9.859249789e+01 1.950450740e+02 5.006828512e+01 1.033968199e+02 1.16 2.002924337e+02 5.578183824e+01 1.482557015e+02 1.968937747e+02 1.934951167e+02 2.908983563e+01 8.861086327e+01 1.603831331e+02 4.236884144e+01 8.943612831e+01 1.18 1.650585547e+02 4.599741501e+01 1.296454447e+02 1.637704598e+02 1.624823656e+02 2.322184231e+01 7.906814067e+01 1.312113340e+02 3.540310254e+01 7.696955084e+01 1.20 1.350134371e+02 3.884320672e+01 1.115373143e+02 1.352883607e+02 1.355632847e+02 1.768722249e+01 7.010236265e+01 1.081189419e+02 2.922322113e+01 6.618389126e+01 1.22 1.108071122e+02 3.344965414e+01 9.450455549e+01 1.120583396e+02 1.133095672e+02 1.273574716e+01 6.182925374e+01 9.112597801e+01 2.378394321e+01 5.716598930e+01 1.24 9.271794997e+01 2.921777609e+01 7.901490052e+01 9.435563544e+01 9.599332110e+01 8.523762791e+00 5.422790552e+01 7.906829799e+01 1.877431322e+01 4.990681857e+01 1.26 8.063281052e+01 2.559195917e+01 6.541645350e+01 8.210593373e+01 8.357905706e+01 5.115331379e+00 4.676064727e+01 7.074118752e+01 1.415390008e+01 4.431056412e+01 1.28 7.346014499e+01 2.248902069e+01 5.393157084e+01 7.436692478e+01 7.527370464e+01 2.494395865e+00 3.955827275e+01 6.392123784e+01 1.006867702e+01 4.001537643e+01 1.30 6.679596073e+01 1.968724532e+01 4.465739066e+01 6.723094661e+01 6.766593252e+01 5.839960518e-01 3.283876392e+01 5.713826890e+01 6.607466779e+00 3.540864607e+01 1.32 5.998526740e+01 1.713385287e+01 3.757280807e+01 6.012405488e+01 6.026284237e+01 -7.299382430e-01 2.676581292e+01 5.042773725e+01 3.799551466e+00 3.036339606e+01 1.34 5.317458780e+01 1.480944266e+01 3.255165656e+01 5.318384857e+01 5.319310935e+01 -1.569262143e+00 2.144431656e+01 4.392740240e+01 1.624354949e+00 2.514224313e+01 1.36 4.650794782e+01 1.269603348e+01 2.908954124e+01 4.650794592e+01 4.650794401e+01 -2.087761524e+00 1.678942688e+01 3.776120459e+01 -5.440923163e-03 1.999392827e+01 1.38 4.011832640e+01 1.077696379e+01 2.599255256e+01 4.011832525e+01 4.011832411e+01 -2.531954640e+00 1.265999914e+01 3.203327516e+01 -1.314481420e+00 1.513308959e+01 1.40 3.412111798e+01 9.036798614e+00 2.314330865e+01 3.412111770e+01 3.412111743e+01 -2.925706140e+00 9.103368368e+00 2.682408354e+01 -2.349752959e+00 1.072621520e+01 1.42 2.860966988e+01 7.461242969e+00 2.052411968e+01 2.860967054e+01 2.860967120e+01 -3.272992071e+00 6.134174409e+00 2.218859137e+01 -3.138841464e+00 6.884455430e+00 1.44 2.365278737e+01 6.037061147e+00 1.811848562e+01 2.365278898e+01 2.365279059e+01 -3.577514745e+00 3.738303173e+00 1.815618360e+01 -3.715065476e+00 3.663138670e+00 1.46 1.929399093e+01 4.752001603e+00 1.591101902e+01 1.929399341e+01 1.929399590e+01 -3.842720288e+00 1.829249945e+00 1.473208298e+01 -4.111995626e+00 1.067106688e+00 1.48 1.555225618e+01 3.569589386e+00 1.388737273e+01 1.555225942e+01 1.555226266e+01 -4.071815119e+00 3.326973202e-01 1.186846676e+01 -4.364744558e+00 -9.395269340e-01 1.50 1.242394318e+01 2.358208343e+00 1.203417214e+01 1.242394699e+01 1.242395079e+01 -4.267781408e+00 -7.801588983e-01 9.441809136e+00 -4.553472836e+00 -2.420785898e+00 1.52 9.885598740e+00 1.139347100e+00 1.033895177e+01 9.885602883e+00 9.885607026e+00 -4.433391585e+00 -1.638266628e+00 7.424539428e+00 -4.695040279e+00 -3.454901963e+00 1.54 7.897287265e+00 -4.103885581e-02 8.790095924e+00 7.897291500e+00 7.897295734e+00 -4.571221955e+00 -2.420908085e+00 5.787691646e+00 -4.788383096e+00 -4.120503561e+00 1.56 6.398428824e+00 -1.141013234e+00 7.376449834e+00 6.398432919e+00 6.398437013e+00 -4.683665468e+00 -3.120726551e+00 4.490044787e+00 -4.834185458e+00 -4.490132447e+00 1.58 5.125024958e+00 -2.126154911e+00 5.985820167e+00 5.125028851e+00 5.125032745e+00 -4.772943697e+00 -3.730058578e+00 3.367810775e+00 -4.835057649e+00 -4.748722521e+00 1.60 3.964379958e+00 -2.972042435e+00 4.560691017e+00 3.964383660e+00 3.964387362e+00 -4.841118080e+00 -4.245698891e+00 2.349655651e+00 -4.795524866e+00 -4.969526233e+00 1.62 2.908326828e+00 -3.672993714e+00 3.140036854e+00 2.908330348e+00 2.908333868e+00 -4.890100448e+00 -4.668639777e+00 1.427811468e+00 -4.721825551e+00 -5.155712797e+00 1.64 1.949237309e+00 -4.255100389e+00 1.761151996e+00 1.949240656e+00 1.949244003e+00 -4.921662912e+00 -5.003502439e+00 5.950357790e-01 -4.621540785e+00 -5.310227013e+00 1.66 1.079988214e+00 -4.694049973e+00 4.573920948e-01 1.079991397e+00 1.079994579e+00 -4.937447118e+00 -5.257742929e+00 -1.554219663e-01 -4.503094833e+00 -5.435803897e+00 1.68 2.939297979e-01 -4.971014482e+00 -7.435983993e-01 2.939328237e-01 2.939358495e-01 -4.938972932e+00 -5.440725762e+00 -8.298519613e-01 -4.375179038e+00 -5.534982387e+00 1.70 -4.151439692e-01 -5.082726379e+00 -1.821076819e+00 -4.151410922e-01 -4.151382152e-01 -4.927646573e+00 -5.562688830e+00 -1.434113629e+00 -4.246155666e+00 -5.610118212e+00 1.72 -1.053023322e+00 -5.040582226e+00 -2.761770193e+00 -1.053020586e+00 -1.053017851e+00 -4.904768238e+00 -5.628487148e+00 -1.973663381e+00 -4.123495464e+00 -5.663395949e+00 1.74 -1.625108931e+00 -4.868165457e+00 -3.559834645e+00 -1.625106330e+00 -1.625103729e+00 -4.871539242e+00 -5.641839760e+00 -2.453580651e+00 -4.013295259e+00 -5.696840334e+00 1.76 -2.136436545e+00 -4.597598698e+00 -4.216270017e+00 -2.136434072e+00 -2.136431598e+00 -4.829068710e+00 -5.609993646e+00 -2.900721426e+00 -3.919914165e+00 -5.712326861e+00 1.78 -2.591700127e+00 -4.265292717e+00 -4.737893690e+00 -2.591697776e+00 -2.591695424e+00 -4.778379843e+00 -5.544893190e+00 -3.371580865e+00 -3.845762955e+00 -5.711591722e+00 1.80 -2.995273590e+00 -3.907041389e+00 -5.136005727e+00 -2.995271354e+00 -2.995269118e+00 -4.720415779e+00 -5.454271489e+00 -3.843149569e+00 -3.787352876e+00 -5.696241118e+00 1.82 -3.409765039e+00 -3.519882563e+00 -5.429034386e+00 -3.409762938e+00 -3.409760836e+00 -4.632550463e+00 -5.324795983e+00 -4.300884938e+00 -3.706275906e+00 -5.649187900e+00 1.84 -3.867779065e+00 -3.103696794e+00 -5.615611005e+00 -3.867777135e+00 -3.867775205e+00 -4.492992903e+00 -5.140879715e+00 -4.718569298e+00 -3.581747619e+00 -5.550326853e+00 1.86 -4.325390418e+00 -2.679168323e+00 -5.687175098e+00 -4.325388688e+00 -4.325386957e+00 -4.304623396e+00 -4.902602620e+00 -5.053218341e+00 -3.417211595e+00 -5.397003793e+00 1.88 -4.737977107e+00 -2.267342455e+00 -5.644774476e+00 -4.737975594e+00 -4.737974081e+00 -4.071368731e+00 -4.612161490e+00 -5.268851374e+00 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