# 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 = He3W # 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 2.000458803e+02 nan nan 0.92 1.814676755e+02 nan nan 0.94 1.648754831e+02 nan nan 0.96 1.499418623e+02 nan nan 0.98 1.363753532e+02 nan nan 1.00 1.238908107e+02 1.852931800e+02 2.172547020e+02 1.02 1.126128878e+02 1.688838927e+02 1.989647161e+02 1.04 1.023014719e+02 1.540193214e+02 1.822202184e+02 1.06 9.289414589e+01 1.405666911e+02 1.668553455e+02 1.08 8.433097279e+01 1.284488724e+02 1.527767427e+02 1.10 7.655601368e+01 1.175227003e+02 1.398733986e+02 1.12 6.952473991e+01 1.076664661e+02 1.280449758e+02 1.14 6.317830246e+01 9.826749730e+01 1.172249885e+02 1.16 5.747605153e+01 8.960472040e+01 1.073780478e+02 1.18 5.125098979e+01 8.177027240e+01 9.844772156e+01 1.20 4.557181878e+01 7.467429056e+01 9.033429460e+01 1.22 4.054052202e+01 6.819025338e+01 8.286351299e+01 1.24 3.611051134e+01 6.243325731e+01 7.605787321e+01 1.26 3.222364897e+01 5.723277079e+01 6.983698699e+01 1.28 2.882719017e+01 5.250215773e+01 6.412672909e+01 1.30 2.587369532e+01 4.819030969e+01 5.887463211e+01 1.32 2.331511784e+01 4.348676952e+01 5.291075781e+01 1.34 2.109571205e+01 3.926850669e+01 4.757101544e+01 1.36 1.916101001e+01 3.548875718e+01 4.279599375e+01 1.38 1.746239216e+01 3.209815975e+01 3.853011715e+01 1.40 1.595653893e+01 2.905350422e+01 3.472953804e+01 1.42 1.460258880e+01 2.632090152e+01 3.137271378e+01 1.44 1.336161802e+01 2.387151907e+01 2.843911993e+01 1.46 1.220836643e+01 2.167802178e+01 2.584107664e+01 1.48 1.113961090e+01 1.971414160e+01 2.354351450e+01 1.50 1.015514019e+01 1.795293178e+01 2.151314960e+01 1.52 9.253599789e+00 1.636909674e+01 1.971696060e+01 1.54 8.424798882e+00 1.493712592e+01 1.812409058e+01 1.56 7.655095686e+00 1.363449063e+01 1.670636701e+01 1.58 6.932309118e+00 1.244568194e+01 1.543469928e+01 1.60 6.246756713e+00 1.136184069e+01 1.428211556e+01 1.62 5.589504957e+00 1.037132097e+01 1.322493724e+01 1.64 4.956576559e+00 9.461670026e+00 1.225104189e+01 1.66 4.351021462e+00 8.622363777e+00 1.135049857e+01 1.68 3.775794155e+00 7.846865730e+00 1.051313384e+01 1.70 3.235241819e+00 7.131743313e+00 9.729295931e+00 1.72 2.734032913e+00 6.473421379e+00 8.989627566e+00 1.74 2.277310525e+00 5.868818651e+00 8.286772563e+00 1.76 1.870523693e+00 5.313872641e+00 7.613925400e+00 1.78 1.519345564e+00 4.801003894e+00 6.965644726e+00 1.80 1.228935511e+00 4.322808291e+00 6.337358650e+00 1.82 9.982171100e-01 3.873591411e+00 5.728244632e+00 1.84 8.201105957e-01 3.451538308e+00 5.143475840e+00 1.86 6.882363804e-01 3.055752226e+00 4.588554214e+00 1.88 5.954984191e-01 2.685925135e+00 4.064762784e+00 1.90 5.341528710e-01 2.341127216e+00 3.571668572e+00 1.92 4.971059294e-01 2.021482409e+00 3.109984986e+00 1.94 4.773259678e-01 1.728967424e+00 2.681391417e+00 1.96 4.677713529e-01 1.466681370e+00 2.288525360e+00 1.98 4.618307997e-01 1.237736829e+00 1.934251915e+00 2.00 4.561816905e-01 1.043393123e+00 1.621913096e+00 2.02 4.505948180e-01 8.846353405e-01 1.354315922e+00 2.04 4.447956062e-01 7.583452140e-01 1.128653362e+00 2.06 4.386862405e-01 6.603823319e-01 9.407355953e-01 2.08 4.315803713e-01 5.865854262e-01 7.863792180e-01 2.10 4.233474432e-01 5.328885141e-01 6.614069968e-01 2.12 4.137738301e-01 4.957104137e-01 5.619953277e-01 2.14 4.024922540e-01 4.716175953e-01 4.829486693e-01 2.16 3.891679855e-01 4.571549124e-01 4.202528915e-01 2.18 3.737899459e-01 4.490272906e-01 3.695443935e-01 2.20 3.564532501e-01 4.433700690e-01 3.264737003e-01 2.22 3.372997342e-01 4.373726787e-01 2.874501314e-01 2.24 3.165378525e-01 4.303624696e-01 2.518594734e-01 2.26 2.944019913e-01 4.216738586e-01 2.198384289e-01 2.28 2.710998888e-01 4.112046654e-01 1.914323304e-01 2.30 2.468025389e-01 3.989206362e-01 1.664173857e-01 2.32 2.216951100e-01 3.849316799e-01 1.441871359e-01 2.34 1.960205839e-01 3.693550870e-01 1.244393659e-01 2.36 1.701557458e-01 3.523735443e-01 1.067688929e-01 2.38 1.445483116e-01 3.342167550e-01 9.074331498e-02 2.40 1.196953400e-01 3.151221685e-01 7.592799267e-02 2.42 9.578641418e-02 2.953482199e-01 6.192611866e-02 2.44 7.328993993e-02 2.752609961e-01 4.855498272e-02 2.46 5.247450467e-02 2.548765595e-01 3.571143305e-02 2.48 3.354913438e-02 2.343750434e-01 2.327785510e-02 2.50 1.672344407e-02 2.139091147e-01 1.111897298e-02 2.52 2.276946638e-03 1.936524565e-01 -7.275876087e-04 2.54 -1.006861502e-02 1.737449368e-01 -1.277267315e-02 2.56 -2.042773522e-02 1.542745182e-01 -2.497434229e-02 2.58 -2.896824936e-02 1.353285175e-01 -3.742430977e-02 2.60 -3.580197973e-02 1.168996168e-01 -5.019207176e-02 2.62 -4.103009844e-02 9.890575645e-02 -6.334671517e-02 2.64 -4.488243465e-02 8.142237403e-02 -7.685056448e-02 2.66 -4.764644545e-02 6.457244813e-02 -9.052846199e-02 2.68 -4.910680130e-02 4.849890999e-02 -1.041931388e-01 2.70 -5.068321142e-02 3.337015680e-02 -1.176641594e-01 2.72 -5.372760730e-02 1.938410691e-02 -1.307401035e-01 2.74 -5.621507215e-02 6.775160954e-03 -1.432042245e-01 2.76 -5.518940181e-02 -4.173200301e-03 -1.548371688e-01 2.78 -4.997381858e-02 -1.320621480e-02 -1.654167508e-01 2.80 -4.135752796e-02 -2.023605436e-02 -1.746550784e-01 2.82 -3.196708682e-02 -2.531858080e-02 -1.824362875e-01 2.84 -2.327088333e-02 -2.870985234e-02 -1.889131868e-01 2.86 -1.585206952e-02 -3.057977307e-02 -1.941204017e-01 2.88 -9.876765627e-03 -3.101565600e-02 -1.981551417e-01 2.90 -5.315000871e-03 -3.022294986e-02 -2.011060738e-01 2.92 -2.023231005e-03 -3.014436401e-02 -2.030631402e-01 2.94 1.972117498e-04 -3.086614458e-02 -2.041476670e-01 2.96 1.548890775e-03 -2.903428582e-02 -2.044872464e-01 2.98 2.216526526e-03 -2.294576379e-02 -2.042092293e-01 3.00 2.545607653e-03 -1.298280515e-02 -2.034766106e-01 3.02 2.304026442e-03 -1.876103475e-03 -2.024514942e-01 3.04 1.813068713e-03 8.025409935e-03 -2.011531435e-01 3.06 1.212202752e-03 1.568764568e-02 -1.995599472e-01 3.08 6.724803719e-04 2.085483455e-02 -1.976426168e-01 3.10 2.246667543e-04 2.369033637e-02 -1.953654073e-01 3.12 -1.406356226e-04 2.454906395e-02 -1.926787429e-01 3.14 -4.328045314e-04 2.384821083e-02 -1.895198844e-01 3.16 -6.612002145e-04 2.200416309e-02 -1.858194057e-01 3.18 -8.351673688e-04 1.940613008e-02 -1.814674018e-01 3.20 -9.640369259e-04 1.641344697e-02 -1.763736451e-01 3.22 -1.057127652e-03 1.335092573e-02 -1.704351404e-01 3.24 -1.122705953e-03 1.048176551e-02 -1.633525305e-01 3.26 -1.164900997e-03 8.033171616e-03 -1.563393932e-01 3.28 -1.186811282e-03 6.048570257e-03 -1.498885676e-01 3.30 -1.191528040e-03 4.469503864e-03 -1.440994464e-01 3.32 -1.182136153e-03 3.237196830e-03 -1.372818807e-01 3.34 -1.161714975e-03 2.293748809e-03 -1.284868996e-01 3.36 -1.133339073e-03 1.581320103e-03 -1.175132453e-01 3.38 -1.100078871e-03 1.042084313e-03 -1.045613663e-01 3.40 -1.065001142e-03 6.182267999e-04 -9.059729761e-02 3.42 -1.030561450e-03 2.608352242e-04 -7.687796197e-02 3.44 -9.971724700e-04 9.353718828e-05 -6.409771750e-02 3.46 -9.648173187e-04 -1.668605879e-04 -5.258197209e-02 3.48 -9.334773148e-04 -3.827967878e-04 -4.243275247e-02 3.50 -9.031412411e-04 -5.587041503e-04 -3.366739159e-02 3.52 -8.738078656e-04 -6.990095445e-04 -2.624648266e-02 3.54 -8.454517825e-04 -8.081347152e-04 -2.008088203e-02 3.56 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