# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Chen-Y-Fang-J-Liu-L-et-al--W-Re # implementation = 2019--Chen-Y--W-Re--LAMMPS--ipr1 # composition = ReW3 # 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 4.165040162e+03 nan nan 0.88 3.717925402e+03 nan nan 0.90 3.317894937e+03 nan nan 0.92 2.946579290e+03 nan nan 0.94 2.620609239e+03 nan nan 0.96 2.334406279e+03 3.709734745e+03 nan 0.98 2.082663972e+03 3.357921265e+03 3.911723541e+03 1.00 1.860546070e+03 3.044159599e+03 3.570589839e+03 1.02 1.652380034e+03 2.715215450e+03 3.190827229e+03 1.04 1.468866349e+03 2.424574686e+03 2.854020823e+03 1.06 1.306945127e+03 2.168091584e+03 2.555096590e+03 1.08 1.164285231e+03 1.940749317e+03 2.289539018e+03 1.10 1.038356918e+03 1.738828494e+03 2.053324100e+03 1.12 9.270232958e+02 1.559351076e+03 1.842976847e+03 1.14 8.285952886e+02 1.399734484e+03 1.655609422e+03 1.16 7.414844259e+02 1.257652150e+03 1.489000389e+03 1.18 6.643197917e+02 1.131000579e+03 1.341070917e+03 1.20 5.957762252e+02 1.017961899e+03 1.209007604e+03 1.22 5.347238795e+02 9.169711283e+02 1.090929252e+03 1.24 4.802307083e+02 8.270679751e+02 9.852384985e+02 1.26 4.314904663e+02 7.466115713e+02 8.905547894e+02 1.28 3.878043727e+02 6.744317804e+02 8.056682406e+02 1.30 3.485746850e+02 6.096485123e+02 7.295275544e+02 1.32 3.133201732e+02 5.514894019e+02 6.611902987e+02 1.34 2.816136200e+02 4.992904052e+02 5.997396908e+02 1.36 2.530876066e+02 4.524431844e+02 5.443367925e+02 1.38 2.274622967e+02 4.103520436e+02 4.942776525e+02 1.40 2.045092982e+02 3.724211388e+02 4.489765398e+02 1.42 1.839775958e+02 3.381203717e+02 4.080129912e+02 1.44 1.655749893e+02 3.070083453e+02 3.710284674e+02 1.46 1.490092366e+02 2.787254574e+02 3.374801086e+02 1.48 1.340460697e+02 2.529616155e+02 3.070956357e+02 1.50 1.205008115e+02 2.294647172e+02 2.796083060e+02 1.52 1.082168711e+02 2.080290532e+02 2.547325541e+02 1.54 9.706269947e+01 1.884742108e+02 2.321606294e+02 1.56 8.692391229e+01 1.706489738e+02 2.116184885e+02 1.58 7.770617391e+01 1.544315213e+02 1.928723953e+02 1.60 6.935974797e+01 1.397203253e+02 1.757370693e+02 1.62 6.181220067e+01 1.264033834e+02 1.600536874e+02 1.64 5.507297539e+01 1.143443625e+02 1.456760672e+02 1.66 4.911188674e+01 1.034094473e+02 1.324778913e+02 1.68 4.371183236e+01 9.347848975e+01 1.203460885e+02 1.70 3.882903565e+01 8.445344658e+01 1.091777023e+02 1.72 3.442415285e+01 7.625258349e+01 9.888329882e+01 1.74 3.045905635e+01 6.886679681e+01 8.939346947e+01 1.76 2.689427773e+01 6.222922296e+01 8.065055477e+01 1.78 2.369205578e+01 5.618229865e+01 7.262253052e+01 1.80 2.084598086e+01 5.066850175e+01 6.529234254e+01 1.82 1.829505887e+01 4.563662946e+01 5.862422241e+01 1.84 1.598078102e+01 4.104007351e+01 5.258396958e+01 1.86 1.387761042e+01 3.683750203e+01 4.713315302e+01 1.88 1.196244627e+01 3.299436646e+01 4.221721300e+01 1.90 1.021435605e+01 2.947968578e+01 3.777896744e+01 1.92 8.613302952e+00 2.626644641e+01 3.376409325e+01 1.94 7.140030325e+00 2.333055885e+01 3.012708835e+01 1.96 5.777200245e+00 2.064990495e+01 2.683170499e+01 1.98 4.510081796e+00 1.820356693e+01 2.384480796e+01 2.00 3.329879040e+00 1.596997508e+01 2.113792202e+01 2.02 2.273064820e+00 1.407263897e+01 1.890206016e+01 2.04 1.280370441e+00 1.231089867e+01 1.684113087e+01 2.06 3.474148301e-01 1.067161978e+01 1.493976914e+01 2.08 -5.257173376e-01 9.142844748e+00 1.318441036e+01 2.10 -1.336958182e+00 7.713622154e+00 1.156210555e+01 2.12 -2.082596857e+00 6.377578779e+00 1.006198309e+01 2.14 -2.759970996e+00 5.130724782e+00 8.674279143e+00 2.16 -3.376450839e+00 3.971296642e+00 7.390239724e+00 2.18 -3.942715374e+00 2.897628224e+00 6.201858925e+00 2.20 -4.468730592e+00 1.909623193e+00 5.101265795e+00 2.22 -4.960505746e+00 1.007449970e+00 4.080698866e+00 2.24 -5.416730930e+00 1.870448225e-01 3.132776381e+00 2.26 -5.832999451e+00 -5.573406334e-01 2.250462402e+00 2.28 -6.204592944e+00 -1.234165466e+00 1.426948740e+00 2.30 -6.530067489e+00 -1.855052862e+00 6.549944105e-01 2.32 -6.815028774e+00 -2.430393446e+00 -7.263571662e-02 2.34 -7.065645592e+00 -2.969296976e+00 -7.621762166e-01 2.36 -7.287876744e+00 -3.479199724e+00 -1.418217010e+00 2.38 -7.487287560e+00 -3.964760133e+00 -2.044390574e+00 2.40 -7.666900707e+00 -4.429595179e+00 -2.644153696e+00 2.42 -7.828409974e+00 -4.876383717e+00 -3.220764704e+00 2.44 -7.973226943e+00 -5.306354026e+00 -3.775061002e+00 2.46 -8.102551634e+00 -5.719923371e+00 -4.307602434e+00 2.48 -8.216787700e+00 -6.115563782e+00 -4.816928885e+00 2.50 -8.315443635e+00 -6.490395147e+00 -5.299795824e+00 2.52 -8.397901841e+00 -6.840880385e+00 -5.751993579e+00 2.54 -8.462994922e+00 -7.161407414e+00 -6.166148922e+00 2.56 -8.509392412e+00 -7.446197622e+00 -6.534572649e+00 2.58 -8.535781292e+00 -7.692710958e+00 -6.854576854e+00 2.60 -8.540831989e+00 -7.900444678e+00 -7.126206844e+00 2.62 -8.523564624e+00 -8.070108307e+00 -7.350948780e+00 2.64 -8.484912333e+00 -8.206142875e+00 -7.536128316e+00 2.66 -8.426683307e+00 -8.313694367e+00 -7.690122221e+00 2.68 -8.350602979e+00 -8.396611620e+00 -7.819327305e+00 2.70 -8.258374719e+00 -8.458151271e+00 -7.929205658e+00 2.72 -8.151573744e+00 -8.501132487e+00 -8.024490182e+00 2.74 -8.031326194e+00 -8.527046880e+00 -8.107465336e+00 2.76 -7.898670286e+00 -8.537175669e+00 -8.179638113e+00 2.78 -7.754689878e+00 -8.532515580e+00 -8.241943262e+00 2.80 -7.600289117e+00 -8.514250827e+00 -8.295144132e+00 2.82 -7.436015746e+00 -8.483795687e+00 -8.339939074e+00 2.84 -7.262816281e+00 -8.442215568e+00 -8.376502486e+00 2.86 -7.081855251e+00 -8.390380452e+00 -8.404808273e+00 2.88 -6.894465209e+00 -8.329144880e+00 -8.424788388e+00 2.90 -6.702032448e+00 -8.259353687e+00 -8.436366781e+00 2.92 -6.505969409e+00 -8.181708821e+00 -8.439459704e+00 2.94 -6.307636828e+00 -8.096854834e+00 -8.434016474e+00 2.96 -6.108269930e+00 -8.005377519e+00 -8.419933476e+00 2.98 -5.908928999e+00 -7.907638685e+00 -8.396954311e+00 3.00 -5.710556133e+00 -7.803935620e+00 -8.364896140e+00 3.02 -5.513846584e+00 -7.694546700e+00 -8.323621714e+00 3.04 -5.319411642e+00 -7.579677496e+00 -8.272818449e+00 3.06 -5.127694848e+00 -7.459501024e+00 -8.212146759e+00 3.08 -4.939120900e+00 -7.334156015e+00 -8.141287081e+00 3.10 -4.754141157e+00 -7.203730773e+00 -8.059937085e+00 3.12 -4.573196976e+00 -7.068310078e+00 -7.967795138e+00 3.14 -4.396645579e+00 -6.927888988e+00 -7.864494893e+00 3.16 -4.224748669e+00 -6.782525921e+00 -7.749909851e+00 3.18 -4.057666981e+00 -6.632474549e+00 -7.624283707e+00 3.20 -3.895438837e+00 -6.478032852e+00 -7.487936524e+00 3.22 -3.738118262e+00 -6.319637238e+00 -7.341415978e+00 3.24 -3.585867950e+00 -6.157974241e+00 -7.185742194e+00 3.26 -3.438852980e+00 -5.993772576e+00 -7.022062375e+00 3.28 -3.297149480e+00 -5.827726969e+00 -6.851485966e+00 3.30 -3.160778477e+00 -5.660471946e+00 -6.675035656e+00 3.32 -3.029741901e+00 -5.492628795e+00 -6.493732979e+00 3.34 -2.904053888e+00 -5.324809401e+00 -6.308626306e+00 3.36 -2.783728531e+00 -5.157515607e+00 -6.120627395e+00 3.38 -2.668817695e+00 -4.991152436e+00 -5.930523852e+00 3.40 -2.559422716e+00 -4.826107450e+00 -5.739101842e+00 3.42 -2.455682427e+00 -4.662710601e+00 -5.547103901e+00 3.44 -2.357752435e+00 -4.501145358e+00 -5.355102715e+00 3.46 -2.265613244e+00 -4.341557156e+00 -5.163643405e+00 3.48 -2.181346276e+00 -4.184076465e+00 -4.973276845e+00 3.50 -2.106221596e+00 -4.028901635e+00 -4.784575823e+00 3.52 -2.033956496e+00 -3.876253615e+00 -4.598094238e+00 3.54 -1.966180244e+00 -3.726337652e+00 -4.414362330e+00 3.56 -1.904271620e+00 -3.579302641e+00 -4.233825425e+00 3.58 -1.846745390e+00 -3.435297957e+00 -4.056892377e+00 3.60 -1.790909979e+00 -3.294552404e+00 -3.883986854e+00 3.62 -1.736273888e+00 -3.157307625e+00 -3.715523036e+00 3.64 -1.682778886e+00 -3.023741420e+00 -3.551820692e+00 3.66 -1.630345502e+00 -2.894004989e+00 -3.393140214e+00 3.68 -1.578880655e+00 -2.768307096e+00 -3.239745206e+00 3.70 -1.528358517e+00 -2.646886440e+00 -3.091925519e+00 3.72 -1.478912170e+00 -2.529975025e+00 -2.949961183e+00 3.74 -1.430629281e+00 -2.417702503e+00 -2.813997211e+00 3.76 -1.383570870e+00 -2.310170473e+00 -2.684139486e+00 3.78 -1.337771297e+00 -2.207483034e+00 -2.560504254e+00 3.80 -1.293245949e+00 -2.109754820e+00 -2.443226652e+00 3.82 -1.250002666e+00 -2.017105429e+00 -2.332467608e+00 3.84 -1.208036928e+00 -1.929334841e+00 -2.228396547e+00 3.86 -1.167338133e+00 -1.847917614e+00 -2.131167102e+00 3.88 -1.127893036e+00 -1.774649003e+00 -2.040731769e+00 3.90 -1.089686258e+00 -1.703154954e+00 -1.960590990e+00 3.92 -1.052698033e+00 -1.633333288e+00 -1.886892566e+00 3.94 -1.016903186e+00 -1.568357146e+00 -1.817095009e+00 3.96 -9.822700059e-01 -1.510313214e+00 -1.752878879e+00 3.98 -9.487733989e-01 -1.458431626e+00 -1.694845515e+00 4.00 -9.163874783e-01 -1.410746889e+00 -1.641698693e+00 4.02 -8.850778448e-01 -1.365268738e+00 -1.591207052e+00 4.04 -8.548329244e-01 -1.321479903e+00 -1.542723992e+00 4.06 -8.256286533e-01 -1.279250312e+00 -1.496072263e+00 4.08 -7.974437299e-01 -1.238441304e+00 -1.451060802e+00 4.10 -7.702324093e-01 -1.198903915e+00 -1.407484173e+00 4.12 -7.439700017e-01 -1.160488211e+00 -1.365135018e+00 4.14 -7.186164324e-01 -1.123102339e+00 -1.323885616e+00 4.16 -6.941532134e-01 -1.086698650e+00 -1.283671925e+00 4.18 -6.705792886e-01 -1.051229093e+00 -1.244428683e+00 4.20 -6.478117029e-01 -1.016639475e+00 -1.206083933e+00 4.22 -6.258272465e-01 -9.828766116e-01 -1.168567421e+00 4.24 -6.046495119e-01 -9.499299673e-01 -1.131873874e+00 4.26 -5.842208089e-01 -9.177940183e-01 -1.096011721e+00 4.28 -5.639242610e-01 -8.864791972e-01 -1.060984134e+00 4.30 -5.441223757e-01 -8.559864117e-01 -1.026788802e+00 4.32 -5.252473185e-01 -8.263267632e-01 -9.934176693e-01 4.34 -5.075492805e-01 -7.974898952e-01 -9.608566257e-01 4.36 -4.911879057e-01 -7.694672203e-01 -9.290846410e-01 4.38 -4.765856715e-01 -7.422603466e-01 -8.980749308e-01 4.40 -4.633865332e-01 -7.158007375e-01 -8.677863476e-01 4.42 -4.504198196e-01 -6.900752379e-01 -8.381718561e-01 4.44 -4.369007780e-01 -6.650860693e-01 -8.091802896e-01 4.46 -4.223322554e-01 -6.405243385e-01 -7.807522070e-01 4.48 -4.064189687e-01 -6.161904239e-01 -7.528087207e-01 4.50 -3.889995654e-01 -5.925266256e-01 -7.252634827e-01 4.52 -3.700116369e-01 -5.697996086e-01 -6.980046078e-01 4.54 -3.495208070e-01 -5.482336783e-01 -6.710664038e-01 4.56 -3.275402794e-01 -5.282666918e-01 -6.444276914e-01 4.58 -3.046148591e-01 -5.092228490e-01 -6.181154105e-01 4.60 -2.813948273e-01 -4.900363470e-01 -5.922427185e-01 4.62 -2.583828131e-01 -4.698343810e-01 -5.663140156e-01 4.64 -2.359578911e-01 -4.482485495e-01 -5.402885762e-01 4.66 -2.143978072e-01 -4.255131992e-01 -5.153318118e-01 4.68 -1.938965946e-01 -4.019065157e-01 -4.922258317e-01 4.70 -1.745814352e-01 -3.777938123e-01 -4.718667765e-01 4.72 -1.565264789e-01 -3.532905687e-01 -4.534722977e-01 4.74 -1.397640621e-01 -3.282800422e-01 -4.343273777e-01 4.76 -1.242940504e-01 -3.028063746e-01 -4.128245358e-01 4.78 -1.100915481e-01 -2.770228096e-01 -3.882268543e-01 4.80 -9.711319224e-02 -2.511459773e-01 -3.604075437e-01 4.82 -8.530213144e-02 -2.253780028e-01 -3.295163066e-01 4.84 -7.459176897e-02 -2.001028335e-01 -2.964856933e-01 4.86 -6.490922409e-02 -1.759424637e-01 -2.631419570e-01 4.88 -5.617786140e-02 -1.532866674e-01 -2.307380890e-01 4.90 -4.831911433e-02 -1.323363849e-01 -2.000473861e-01 4.92 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-1.868527185e-04 5.28 -5.838329439e-06 -1.556903478e-05 -2.335366938e-05 5.30 3.158420305e-12 8.422493798e-12 1.263372087e-11 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 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