# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2021--Chen-Y-Fang-J-Liao-X-et-al--W-Ta-He # implementation = 2021--Chen-Y--W-Ta-He--LAMMPS--ipr1 # composition = He3Ta # 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 2022-12-14 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 1.468930916e+02 nan nan 0.92 1.295923161e+02 nan nan 0.94 1.143608456e+02 nan nan 0.96 1.009599960e+02 nan nan 0.98 8.917147631e+01 nan nan 1.00 7.867105776e+01 1.307046835e+02 1.641969122e+02 1.02 6.948924402e+01 1.160815736e+02 1.469933958e+02 1.04 6.133645626e+01 1.031555051e+02 1.315509768e+02 1.06 5.410004420e+01 9.170995823e+01 1.176648833e+02 1.08 4.768732443e+01 8.162168625e+01 1.051677084e+02 1.10 4.201724099e+01 7.271671299e+01 9.394378550e+01 1.12 3.702207344e+01 6.483096963e+01 8.389946341e+01 1.14 3.263274188e+01 5.790654385e+01 7.492650132e+01 1.16 2.880178048e+01 5.177906060e+01 6.692341533e+01 1.18 2.566809487e+01 4.633121932e+01 5.980060427e+01 1.20 2.292309435e+01 4.149054052e+01 5.345960567e+01 1.22 2.047201176e+01 3.713031309e+01 4.772892441e+01 1.24 1.830428395e+01 3.334368444e+01 4.262909177e+01 1.26 1.639455275e+01 2.996931176e+01 3.808185620e+01 1.28 1.471465511e+01 2.693749754e+01 3.400744743e+01 1.30 1.323336853e+01 2.421406804e+01 3.033656962e+01 1.32 1.192368261e+01 2.190013850e+01 2.722042354e+01 1.34 1.077205750e+01 1.982943739e+01 2.443248763e+01 1.36 9.768305935e+00 1.797669330e+01 2.196420269e+01 1.38 8.894050624e+00 1.631580349e+01 1.979332478e+01 1.40 8.123245327e+00 1.482268305e+01 1.788414358e+01 1.42 7.430978541e+00 1.347787424e+01 1.621952571e+01 1.44 6.797209906e+00 1.226572616e+01 1.478327291e+01 1.46 6.208611811e+00 1.117257902e+01 1.350887780e+01 1.48 5.656390922e+00 1.018537583e+01 1.237733823e+01 1.50 5.129846793e+00 9.291977691e+00 1.137095802e+01 1.52 4.621429168e+00 8.483290070e+00 1.047212791e+01 1.54 4.135747596e+00 7.750182251e+00 9.665230211e+00 1.56 3.679825621e+00 7.078352740e+00 8.936608082e+00 1.58 3.258896549e+00 6.450160452e+00 8.271045663e+00 1.60 2.868800426e+00 5.849400792e+00 7.655065665e+00 1.62 2.503421599e+00 5.270451148e+00 7.076753076e+00 1.64 2.158413968e+00 4.723651847e+00 6.530374209e+00 1.66 1.834299492e+00 4.220801151e+00 6.013270131e+00 1.68 1.531525517e+00 3.767701339e+00 5.522993817e+00 1.70 1.251143431e+00 3.358457604e+00 5.057301753e+00 1.72 9.940572136e-01 2.985879277e+00 4.613805609e+00 1.74 7.613593391e-01 2.644574990e+00 4.191720853e+00 1.76 5.545672991e-01 2.332565640e+00 3.790516543e+00 1.78 3.758034617e-01 2.046693015e+00 3.409904155e+00 1.80 2.269781624e-01 1.783738312e+00 3.046905453e+00 1.82 1.076048786e-01 1.540764447e+00 2.698688985e+00 1.84 1.437347211e-02 1.315685180e+00 2.363752284e+00 1.86 -5.518286330e-02 1.106963808e+00 2.042301157e+00 1.88 -1.040461053e-01 9.141328886e-01 1.738733742e+00 1.90 -1.357965429e-01 7.361191375e-01 1.457209379e+00 1.92 -1.536348215e-01 5.727750210e-01 1.202513717e+00 1.94 -1.609091094e-01 4.248702396e-01 9.759736761e-01 1.96 -1.609539294e-01 2.936754740e-01 7.760942147e-01 1.98 -1.567572979e-01 1.805402612e-01 6.013931259e-01 2.00 -1.500294168e-01 8.536499031e-02 4.506598060e-01 2.02 -1.408350977e-01 8.380371832e-03 3.238615213e-01 2.04 -1.292354502e-01 -5.199885442e-02 2.190737484e-01 2.06 -1.153205552e-01 -9.773017761e-02 1.338266802e-01 2.08 -9.982440545e-02 -1.307944615e-01 6.565058181e-02 2.10 -8.293556135e-02 -1.530893573e-01 1.207564696e-02 2.12 -6.494419010e-02 -1.660946501e-01 -2.898769361e-02 2.14 -4.611496584e-02 -1.710413914e-01 -6.067357580e-02 2.16 -2.671540795e-02 -1.691736205e-01 -8.472138275e-02 2.18 -6.986296182e-03 -1.618209522e-01 -1.032299640e-01 2.20 1.285324382e-02 -1.509786770e-01 -1.182839749e-01 2.22 3.254023745e-02 -1.378565507e-01 -1.315703421e-01 2.24 5.175822641e-02 -1.227182151e-01 -1.434021246e-01 2.26 7.025360512e-02 -1.061087592e-01 -1.537456427e-01 2.28 8.784503743e-02 -8.802696412e-02 -1.625714657e-01 2.30 1.044419388e-01 -6.867378388e-02 -1.699292183e-01 2.32 1.199817165e-01 -4.825976264e-02 -1.761957607e-01 2.34 1.345053400e-01 -2.701292369e-02 -1.813528217e-01 2.36 1.481246998e-01 -5.244833611e-03 -1.853519025e-01 2.38 1.608611109e-01 1.666741457e-02 -1.882042939e-01 2.40 1.727251621e-01 3.832717286e-02 -1.899959879e-01 2.42 1.834365299e-01 5.940572142e-02 -1.907895789e-01 2.44 1.929816083e-01 7.971617990e-02 -1.905509901e-01 2.46 2.012444854e-01 9.887971156e-02 -1.891960454e-01 2.48 2.080815918e-01 1.168374578e-01 -1.866446907e-01 2.50 2.133226323e-01 1.335604788e-01 -1.828873826e-01 2.52 2.169295821e-01 1.490172081e-01 -1.778566423e-01 2.54 2.186381973e-01 1.631677324e-01 -1.720466979e-01 2.56 2.184774144e-01 1.759618222e-01 -1.653951780e-01 2.58 2.164015903e-01 1.873369021e-01 -1.579890009e-01 2.60 2.124117214e-01 1.972245934e-01 -1.498903337e-01 2.62 2.065497567e-01 2.055531259e-01 -1.411652957e-01 2.64 1.989673825e-01 2.122338821e-01 -1.318928989e-01 2.66 1.898374726e-01 2.171931221e-01 -1.221577938e-01 2.68 1.797659907e-01 2.204072569e-01 -1.120483666e-01 2.70 1.688704571e-01 2.218657811e-01 -1.016593702e-01 2.72 1.573920972e-01 2.215684527e-01 -9.111328886e-02 2.74 1.455682662e-01 2.195316443e-01 -8.055430619e-02 2.76 1.332796094e-01 2.158102047e-01 -7.013499438e-02 2.78 1.214347672e-01 2.105106649e-01 -5.999951762e-02 2.80 1.109602846e-01 2.038078543e-01 -5.018385653e-02 2.82 1.023495699e-01 1.959044578e-01 -4.082887465e-02 2.84 9.593001060e-02 1.870450240e-01 -3.210305086e-02 2.86 9.184567045e-02 1.776755651e-01 -2.397368391e-02 2.88 8.974022005e-02 1.682799856e-01 -1.645584524e-02 2.90 8.868551960e-02 1.592737220e-01 -9.566436640e-03 2.92 8.794607995e-02 1.509522656e-01 -3.325701385e-03 2.94 8.699465187e-02 1.433938565e-01 2.242285464e-03 2.96 8.548185121e-02 1.357984145e-01 7.108683778e-03 2.98 8.326788240e-02 1.280064254e-01 1.123953752e-02 3.00 8.052617632e-02 1.197082853e-01 1.459788040e-02 3.02 7.692943005e-02 1.120555039e-01 1.715040423e-02 3.04 7.275484006e-02 1.060976410e-01 1.888559166e-02 3.06 6.810581576e-02 1.023844846e-01 1.979703015e-02 3.08 6.309604463e-02 1.010690580e-01 1.990261472e-02 3.10 5.783802710e-02 1.018460425e-01 1.923151885e-02 3.12 5.243814675e-02 1.034506529e-01 1.781544811e-02 3.14 4.699617180e-02 1.048652702e-01 1.568650196e-02 3.16 4.160601037e-02 1.055378053e-01 1.290492352e-02 3.18 3.635706462e-02 1.052334620e-01 9.514928267e-03 3.20 3.133572168e-02 1.039042082e-01 5.640747621e-03 3.22 2.662667749e-02 1.016182743e-01 1.581942590e-03 3.24 2.231326019e-02 9.847809390e-02 -2.766147610e-03 3.26 1.844171889e-02 9.460767623e-02 -7.855371253e-03 3.28 1.500238307e-02 9.014158017e-02 -1.339996050e-02 3.30 1.198092801e-02 8.521292689e-02 -1.935672617e-02 3.32 9.362652357e-03 7.994761593e-02 -2.521993626e-02 3.34 7.125211143e-03 7.446259649e-02 -3.045713279e-02 3.36 5.239208994e-03 6.886653689e-02 -3.477186102e-02 3.38 3.674990683e-03 6.326167103e-02 -3.799512693e-02 3.40 2.402904533e-03 5.774597010e-02 -4.002007030e-02 3.42 1.393301905e-03 5.241602933e-02 -4.079501907e-02 3.44 6.165367301e-04 4.750509603e-02 -4.030835923e-02 3.46 4.296510257e-05 4.276962587e-02 -3.855975322e-02 3.48 -3.570550829e-04 3.833186280e-02 -3.585577450e-02 3.50 -6.131733968e-04 3.418027424e-02 -3.253656889e-02 3.52 -7.550493942e-04 3.030800481e-02 -2.888308654e-02 3.54 -8.123184569e-04 2.670822775e-02 -2.512141350e-02 3.56 -8.146145522e-04 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