# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Zhou-X-W-Doty-F-P-Yang-P--Li-Na-K-Rb-Cs-F-Cl-Br-I # implementation = 2011--Zhou-X-W--Li-Na-K-Rb-Cs-F-Cl-Br-I--LAMMPS--ipr1 # composition = CsF2Li # 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 L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 8.298033087e+05 8.298033087e+05 1.22 nan nan 1.24 nan nan 1.26 4.212520296e+05 4.212520296e+05 1.28 3.384124154e+05 3.384124154e+05 1.30 2.727669835e+05 2.727669835e+05 1.32 2.205626343e+05 2.205626343e+05 1.34 1.789047460e+05 1.789047460e+05 1.36 1.455521121e+05 1.455521121e+05 1.38 1.187630931e+05 1.187630931e+05 1.40 9.717852891e+04 9.717852891e+04 1.42 7.973465244e+04 7.973465244e+04 1.44 6.559569051e+04 6.559569051e+04 1.46 5.410263390e+04 5.410263390e+04 1.48 4.473449400e+04 4.473449400e+04 1.50 3.707787703e+04 3.707787703e+04 1.52 3.080366100e+04 3.080366100e+04 1.54 2.564918937e+04 2.564918937e+04 1.56 2.140424394e+04 2.140424394e+04 1.58 1.789989055e+04 1.789989055e+04 1.60 1.500014508e+04 1.500014508e+04 1.62 1.259524948e+04 1.259524948e+04 1.64 1.059641164e+04 1.059641164e+04 1.66 8.931482479e+03 8.931482479e+03 1.68 7.541782553e+03 7.541782553e+03 1.70 6.379462568e+03 6.379462568e+03 1.72 5.405406789e+03 5.405406789e+03 1.74 4.587569265e+03 4.587569265e+03 1.76 3.899604004e+03 3.899604004e+03 1.78 3.319846289e+03 3.319846289e+03 1.80 2.830410766e+03 2.830410766e+03 1.82 2.416516677e+03 2.416516677e+03 1.84 2.065932957e+03 2.065932957e+03 1.86 1.768500125e+03 1.768500125e+03 1.88 1.515750000e+03 1.515750000e+03 1.90 1.300644017e+03 1.300644017e+03 1.92 1.117305355e+03 1.117305355e+03 1.94 9.608179700e+02 9.608179700e+02 1.96 8.270627124e+02 8.270627124e+02 1.98 7.125879233e+02 7.125879233e+02 2.00 6.144855718e+02 6.144855718e+02 2.02 5.303032655e+02 5.303032655e+02 2.04 4.579776098e+02 4.579776098e+02 2.06 3.957653201e+02 3.957653201e+02 2.08 3.421910936e+02 3.421910936e+02 2.10 2.960059052e+02 2.960059052e+02 2.12 2.561485473e+02 2.561485473e+02 2.14 2.217164525e+02 2.217164525e+02 2.16 1.919448203e+02 1.919448203e+02 2.18 1.661779950e+02 1.661779950e+02 2.20 1.438578374e+02 1.438578374e+02 2.22 1.245080422e+02 1.245080422e+02 2.24 1.077206308e+02 1.077206308e+02 2.26 9.314604468e+01 9.314604468e+01 2.28 8.048439613e+01 8.048439613e+01 2.30 6.947813047e+01 6.947813047e+01 2.32 5.990578587e+01 5.990578587e+01 2.34 5.157629461e+01 5.157629461e+01 2.36 4.432557531e+01 4.432557531e+01 2.38 3.801231151e+01 3.801231151e+01 2.40 3.251536751e+01 3.251536751e+01 2.42 2.772700292e+01 2.772700292e+01 2.44 2.355561420e+01 2.355561420e+01 2.46 1.992183314e+01 1.992183314e+01 2.48 1.675682956e+01 1.675682956e+01 2.50 1.400087620e+01 1.400087620e+01 2.52 1.160204712e+01 1.160204712e+01 2.54 9.515121088e+00 9.515121088e+00 2.56 7.700842775e+00 7.700842775e+00 2.58 6.125057815e+00 6.125057815e+00 2.60 4.757931508e+00 4.757931508e+00 2.62 3.573275547e+00 3.573275547e+00 2.64 2.548498772e+00 2.548498772e+00 2.66 1.663844874e+00 1.663844874e+00 2.68 9.019500648e-01 9.019500648e-01 2.70 2.476997055e-01 2.476997055e-01 2.72 -3.120827754e-01 -3.120827754e-01 2.74 -7.894944922e-01 -7.894944922e-01 2.76 -1.194491654e+00 -1.194491654e+00 2.78 -1.536031717e+00 -1.536031717e+00 2.80 -1.821977115e+00 -1.821977115e+00 2.82 -2.059235888e+00 -2.059235888e+00 2.84 -2.253939798e+00 -2.253939798e+00 2.86 -2.411528920e+00 -2.411528920e+00 2.88 -2.536605082e+00 -2.536605082e+00 2.90 -2.633253553e+00 -2.633253553e+00 2.92 -2.705125247e+00 -2.705125247e+00 2.94 -2.755462354e+00 -2.755462354e+00 2.96 -2.787130131e+00 -2.787130131e+00 2.98 -2.802662016e+00 -2.802662016e+00 3.00 -2.804298762e+00 -2.804298762e+00 3.02 -2.794186758e+00 -2.794186758e+00 3.04 -2.773914933e+00 -2.773914933e+00 3.06 -2.744987641e+00 -2.744987641e+00 3.08 -2.708812489e+00 -2.708812489e+00 3.10 -2.666614055e+00 -2.666614055e+00 3.12 -2.619403567e+00 -2.619403567e+00 3.14 -2.568123998e+00 -2.568123998e+00 3.16 -2.513600864e+00 -2.513600864e+00 3.18 -2.456554502e+00 -2.456554502e+00 3.20 -2.397611046e+00 -2.397611046e+00 3.22 -2.337312291e+00 -2.337312291e+00 3.24 -2.276137903e+00 -2.276137903e+00 3.26 -2.214483556e+00 -2.214483556e+00 3.28 -2.152679229e+00 -2.152679229e+00 3.30 -2.091007343e+00 -2.091007343e+00 3.32 -2.029704124e+00 -2.029704124e+00 3.34 -1.968986343e+00 -1.968986343e+00 3.36 -1.909000608e+00 -1.909000608e+00 3.38 -1.849871563e+00 -1.849871563e+00 3.40 -1.791701259e+00 -1.791701259e+00 3.42 -1.734568289e+00 -1.734568289e+00 3.44 -1.678531281e+00 -1.678531281e+00 3.46 -1.623632025e+00 -1.623632025e+00 3.48 -1.569898265e+00 -1.569898265e+00 3.50 -1.517346167e+00 -1.517346167e+00 3.52 -1.465982203e+00 -1.465982203e+00 3.54 -1.415805378e+00 -1.415805378e+00 3.56 -1.366809599e+00 -1.366809599e+00 3.58 -1.318983568e+00 -1.318983568e+00 3.60 -1.272312594e+00 -1.272312594e+00 3.62 -1.226779540e+00 -1.226779540e+00 3.64 -1.182365611e+00 -1.182365611e+00 3.66 -1.139050987e+00 -1.139050987e+00 3.68 -1.096816543e+00 -1.096816543e+00 3.70 -1.055895708e+00 -1.055895708e+00 3.72 -1.016039505e+00 -1.016039505e+00 3.74 -9.771612028e-01 -9.771612028e-01 3.76 -9.392282135e-01 -9.392282135e-01 3.78 -9.022311098e-01 -9.022311098e-01 3.80 -8.661598247e-01 -8.661598247e-01 3.82 -8.310038575e-01 -8.310038575e-01 3.84 -7.967799281e-01 -7.967799281e-01 3.86 -7.634455414e-01 -7.634455414e-01 3.88 -7.309872551e-01 -7.309872551e-01 3.90 -6.993958072e-01 -6.993958072e-01 3.92 -6.686618546e-01 -6.686618546e-01 3.94 -6.387760832e-01 -6.387760832e-01 3.96 -6.097292964e-01 -6.097292964e-01 3.98 -5.815124816e-01 -5.815124816e-01 4.00 -5.541168573e-01 -5.541168573e-01 4.02 -5.275339008e-01 -5.275339008e-01 4.04 -5.017553595e-01 -5.017553595e-01 4.06 -4.767732449e-01 -4.767732449e-01 4.08 -4.525798130e-01 -4.525798130e-01 4.10 -4.291675308e-01 -4.291675308e-01 4.12 -4.065290316e-01 -4.065290316e-01 4.14 -3.846570603e-01 -3.846570603e-01 4.16 -3.635444100e-01 -3.635444100e-01 4.18 -3.431838529e-01 -3.431838529e-01 4.20 -3.235680655e-01 -3.235680655e-01 4.22 -3.046895521e-01 -3.046895521e-01 4.24 -2.865405657e-01 -2.865405657e-01 4.26 -2.691225661e-01 -2.691225661e-01 4.28 -2.524172512e-01 -2.524172512e-01 4.30 -2.364146154e-01 -2.364146154e-01 4.32 -2.211050463e-01 -2.211050463e-01 4.34 -2.064787813e-01 -2.064787813e-01 4.36 -1.925252808e-01 -1.925252808e-01 4.38 -1.792332275e-01 -1.792332275e-01 4.40 -1.665905540e-01 -1.665905540e-01 4.42 -1.545844413e-01 -1.545844413e-01 4.44 -1.432013087e-01 -1.432013087e-01 4.46 -1.324268159e-01 -1.324268159e-01 4.48 -1.222458756e-01 -1.222458756e-01 4.50 -1.126433788e-01 -1.126433788e-01 4.52 -1.036515645e-01 -1.036515645e-01 4.54 -9.519810493e-02 -9.519810493e-02 4.56 -8.726521786e-02 -8.726521786e-02 4.58 -7.983523390e-02 -7.983523390e-02 4.60 -7.288996788e-02 -7.288996788e-02 4.62 -6.641079735e-02 -6.641079735e-02 4.64 -6.037874553e-02 -6.037874553e-02 4.66 -5.477431923e-02 -5.477431923e-02 4.68 -4.957633459e-02 -4.957633459e-02 4.70 -4.476756670e-02 -4.476756670e-02 4.72 -4.032847212e-02 -4.032847212e-02 4.74 -3.623959392e-02 -3.623959392e-02 4.76 -3.248164579e-02 -3.248164579e-02 4.78 -2.903559249e-02 -2.903559249e-02 4.80 -2.588272572e-02 -2.588272572e-02 4.82 -2.300473477e-02 -2.300473477e-02 4.84 -2.038377107e-02 -2.038377107e-02 4.86 -1.800250640e-02 -1.800250640e-02 4.88 -1.584418425e-02 -1.584418425e-02 4.90 -1.389266406e-02 -1.389266406e-02 4.92 -1.213245832e-02 -1.213245832e-02 4.94 -1.054876247e-02 -1.054876247e-02 4.96 -9.127477630e-03 -9.127477630e-03 4.98 -7.855226590e-03 -7.855226590e-03 5.00 -6.719363084e-03 -6.719363084e-03 5.02 -5.707974916e-03 -5.707974916e-03 5.04 -4.809881277e-03 -4.809881277e-03 5.06 -4.014624753e-03 -4.014624753e-03 5.08 -3.312458556e-03 -3.312458556e-03 5.10 -2.694329487e-03 -2.694329487e-03 5.12 -2.151857219e-03 -2.151857219e-03 5.14 -1.677310425e-03 -1.677310425e-03 5.16 -1.263580313e-03 -1.263580313e-03 5.18 -9.041520861e-04 -9.041520861e-04 5.20 -5.930748456e-04 -5.930748456e-04 5.22 -4.508014798e-04 -4.508014798e-04 5.24 -3.602188041e-04 -3.602188041e-04 5.26 -2.816951390e-04 -2.816951390e-04 5.28 -2.138493170e-04 -2.138493170e-04 5.30 -1.554339325e-04 -1.554339325e-04 5.32 -1.053439274e-04 -1.053439274e-04 5.34 -9.312912406e-05 -9.312912406e-05 5.36 -8.634844511e-05 -8.634844511e-05 5.38 -7.998417626e-05 -7.998417626e-05 5.40 -7.401630714e-05 -7.401630714e-05 5.42 -6.842543130e-05 -6.842543130e-05 5.44 -6.314830240e-05 -6.314830240e-05 5.46 -5.817677338e-05 -5.817677338e-05 5.48 -5.353990369e-05 -5.353990369e-05 5.50 -4.921941475e-05 -4.921941475e-05 5.52 -4.519772021e-05 -4.519772021e-05 5.54 -4.145792089e-05 -4.145792089e-05 5.56 -3.798379813e-05 -3.798379813e-05 5.58 -3.475980571e-05 -3.475980571e-05 5.60 -3.177106040e-05 -3.177106040e-05 5.62 -2.900333133e-05 -2.900333133e-05 5.64 -2.644302810e-05 -2.644302810e-05 5.66 -2.407718799e-05 -2.407718799e-05 5.68 -2.189346216e-05 -2.189346216e-05 5.70 -1.988010100e-05 -1.988010100e-05 5.72 -1.802593877e-05 -1.802593877e-05 5.74 -1.632037763e-05 -1.632037763e-05 5.76 -1.475337107e-05 -1.475337107e-05 5.78 -1.331540693e-05 -1.331540693e-05 5.80 -1.199749001e-05 -1.199749001e-05 5.82 -1.079112446e-05 -1.079112446e-05 5.84 -9.688295910e-06 -9.688295910e-06 5.86 -8.681453499e-06 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