# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2008--Chenoweth-K-van-Duin-A-C-T-Goddard-W-A--C-H-O # implementation = 2008--Chenoweth-K--C-H-O--LAMMPS--ipr1 # composition = CH2O # 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 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 nan nan 1.30 nan nan 1.32 nan nan 1.34 nan nan 1.36 nan nan 1.38 nan nan 1.40 nan nan 1.42 nan nan 1.44 nan nan 1.46 nan nan 1.48 nan nan 1.50 nan nan 1.52 nan nan 1.54 nan nan 1.56 nan nan 1.58 nan nan 1.60 nan nan 1.62 nan nan 1.64 nan nan 1.66 nan nan 1.68 2.324192992e+01 2.324192992e+01 1.70 1.785946365e+01 1.785946365e+01 1.72 1.857291974e+00 1.857291974e+00 1.74 -8.675797212e+00 -8.675797212e+00 1.76 -9.763779540e+00 -9.763779540e+00 1.78 -9.710109725e+00 -9.710109725e+00 1.80 -9.699104179e+00 -9.699104179e+00 1.82 -9.897633085e+00 -9.897633085e+00 1.84 -1.045725806e+01 -1.045725806e+01 1.86 -1.175051299e+01 -1.175051299e+01 1.88 -1.376804613e+01 -1.376804613e+01 1.90 -1.783376739e+01 -1.783376739e+01 1.92 -2.160364925e+01 -2.160364925e+01 1.94 -2.304816124e+01 -2.304816124e+01 1.96 -2.216133003e+01 -2.216133003e+01 1.98 -2.006531194e+01 -2.006531194e+01 2.00 -1.758677083e+01 -1.758677083e+01 2.02 -1.511753241e+01 -1.511753241e+01 2.04 -1.282223965e+01 -1.282223965e+01 2.06 -1.076807187e+01 -1.076807187e+01 2.08 -8.979240391e+00 -8.979240391e+00 2.10 -7.458257824e+00 -7.458257824e+00 2.12 -6.194830858e+00 -6.194830858e+00 2.14 -5.170473791e+00 -5.170473791e+00 2.16 -4.361517325e+00 -4.361517325e+00 2.18 -3.741995371e+00 -3.741995371e+00 2.20 -3.279701470e+00 -3.279701470e+00 2.22 -2.951927569e+00 -2.951927569e+00 2.24 -2.735464624e+00 -2.735464624e+00 2.26 -2.605721186e+00 -2.605721186e+00 2.28 -2.570322958e+00 -2.570322958e+00 2.30 -2.615897583e+00 -2.615897583e+00 2.32 -2.764660202e+00 -2.764660202e+00 2.34 -2.917623747e+00 -2.917623747e+00 2.36 -3.056154299e+00 -3.056154299e+00 2.38 -3.181301701e+00 -3.181301701e+00 2.40 -3.294064009e+00 -3.294064009e+00 2.42 -3.395393271e+00 -3.395393271e+00 2.44 -3.486206689e+00 -3.486206689e+00 2.46 -3.567378375e+00 -3.567378375e+00 2.48 -3.639708428e+00 -3.639708428e+00 2.50 -3.703922376e+00 -3.703922376e+00 2.52 -3.760677625e+00 -3.760677625e+00 2.54 -3.810574776e+00 -3.810574776e+00 2.56 -3.854168093e+00 -3.854168093e+00 2.58 -3.891969759e+00 -3.891969759e+00 2.60 -3.924453088e+00 -3.924453088e+00 2.62 -3.952055327e+00 -3.952055327e+00 2.64 -3.975181488e+00 -3.975181488e+00 2.66 -3.994210721e+00 -3.994210721e+00 2.68 -4.009492026e+00 -4.009492026e+00 2.70 -4.021336960e+00 -4.021336960e+00 2.72 -4.030020300e+00 -4.030020300e+00 2.74 -4.035781520e+00 -4.035781520e+00 2.76 -4.038827425e+00 -4.038827425e+00 2.78 -4.039344896e+00 -4.039344896e+00 2.80 -4.037511867e+00 -4.037511867e+00 2.82 -4.033499052e+00 -4.033499052e+00 2.84 -4.027470924e+00 -4.027470924e+00 2.86 -4.019586679e+00 -4.019586679e+00 2.88 -4.010001185e+00 -4.010001185e+00 2.90 -3.998865953e+00 -3.998865953e+00 2.92 -3.986331757e+00 -3.986331757e+00 2.94 -3.972553011e+00 -3.972553011e+00 2.96 -3.957684187e+00 -3.957684187e+00 2.98 -3.941868406e+00 -3.941868406e+00 3.00 -3.925235176e+00 -3.925235176e+00 3.02 -3.907901131e+00 -3.907901131e+00 3.04 -3.889970757e+00 -3.889970757e+00 3.06 -3.871537044e+00 -3.871537044e+00 3.08 -3.852682277e+00 -3.852682277e+00 3.10 -3.833481134e+00 -3.833481134e+00 3.12 -3.814004270e+00 -3.814004270e+00 3.14 -3.794319070e+00 -3.794319070e+00 3.16 -3.774489979e+00 -3.774489979e+00 3.18 -3.754578796e+00 -3.754578796e+00 3.20 -3.734644921e+00 -3.734644921e+00 3.22 -3.714745569e+00 -3.714745569e+00 3.24 -3.694935952e+00 -3.694935952e+00 3.26 -3.675269428e+00 -3.675269428e+00 3.28 -3.655797636e+00 -3.655797636e+00 3.30 -3.636570599e+00 -3.636570599e+00 3.32 -3.617636831e+00 -3.617636831e+00 3.34 -3.599043415e+00 -3.599043415e+00 3.36 -3.580835294e+00 -3.580835294e+00 3.38 -3.563051792e+00 -3.563051792e+00 3.40 -3.545725116e+00 -3.545725116e+00 3.42 -3.528880571e+00 -3.528880571e+00 3.44 -3.512536809e+00 -3.512536809e+00 3.46 -3.496706044e+00 -3.496706044e+00 3.48 -3.481394248e+00 -3.481394248e+00 3.50 -3.466601305e+00 -3.466601305e+00 3.52 -3.452321146e+00 -3.452321146e+00 3.54 -3.438541844e+00 -3.438541844e+00 3.56 -3.425246199e+00 -3.425246199e+00 3.58 -3.412414870e+00 -3.412414870e+00 3.60 -3.400028341e+00 -3.400028341e+00 3.62 -3.388067094e+00 -3.388067094e+00 3.64 -3.376511699e+00 -3.376511699e+00 3.66 -3.365342898e+00 -3.365342898e+00 3.68 -3.354541700e+00 -3.354541700e+00 3.70 -3.344089468e+00 -3.344089468e+00 3.72 -3.333968004e+00 -3.333968004e+00 3.74 -3.324159636e+00 -3.324159636e+00 3.76 -3.314647295e+00 -3.314647295e+00 3.78 -3.305414595e+00 -3.305414595e+00 3.80 -3.296445902e+00 -3.296445902e+00 3.82 -3.287726398e+00 -3.287726398e+00 3.84 -3.279242143e+00 -3.279242143e+00 3.86 -3.270980124e+00 -3.270980124e+00 3.88 -3.262928301e+00 -3.262928301e+00 3.90 -3.255075697e+00 -3.255075697e+00 3.92 -3.247412641e+00 -3.247412641e+00 3.94 -3.239930892e+00 -3.239930892e+00 3.96 -3.232623660e+00 -3.232623660e+00 3.98 -3.225485639e+00 -3.225485639e+00 4.00 -3.218512812e+00 -3.218512812e+00 4.02 -3.211701454e+00 -3.211701454e+00 4.04 -3.205047625e+00 -3.205047625e+00 4.06 -3.198547152e+00 -3.198547152e+00 4.08 -3.192195631e+00 -3.192195631e+00 4.10 -3.185988420e+00 -3.185988420e+00 4.12 -3.179920634e+00 -3.179920634e+00 4.14 -3.173987146e+00 -3.173987146e+00 4.16 -3.168182573e+00 -3.168182573e+00 4.18 -3.162501276e+00 -3.162501276e+00 4.20 -3.156937350e+00 -3.156937350e+00 4.22 -3.151484618e+00 -3.151484618e+00 4.24 -3.146136620e+00 -3.146136620e+00 4.26 -3.140886608e+00 -3.140886608e+00 4.28 -3.135727538e+00 -3.135727538e+00 4.30 -3.130652056e+00 -3.130652056e+00 4.32 -3.125652496e+00 -3.125652496e+00 4.34 -3.120720867e+00 -3.120720867e+00 4.36 -3.115848957e+00 -3.115848957e+00 4.38 -3.111028654e+00 -3.111028654e+00 4.40 -3.106252058e+00 -3.106252058e+00 4.42 -3.101511490e+00 -3.101511490e+00 4.44 -3.096799490e+00 -3.096799490e+00 4.46 -3.092108826e+00 -3.092108826e+00 4.48 -3.087432495e+00 -3.087432495e+00 4.50 -3.082763729e+00 -3.082763729e+00 4.52 -3.078095996e+00 -3.078095996e+00 4.54 -3.073423009e+00 -3.073423009e+00 4.56 -3.068738728e+00 -3.068738728e+00 4.58 -3.064037367e+00 -3.064037367e+00 4.60 -3.059313394e+00 -3.059313394e+00 4.62 -3.054561545e+00 -3.054561545e+00 4.64 -3.049776821e+00 -3.049776821e+00 4.66 -3.044954498e+00 -3.044954498e+00 4.68 -3.040090131e+00 -3.040090131e+00 4.70 -3.035179560e+00 -3.035179560e+00 4.72 -3.030218916e+00 -3.030218916e+00 4.74 -3.025204626e+00 -3.025204626e+00 4.76 -3.020133418e+00 -3.020133418e+00 4.78 -3.015002327e+00 -3.015002327e+00 4.80 -3.009808702e+00 -3.009808702e+00 4.82 -3.004550207e+00 -3.004550207e+00 4.84 -2.999224830e+00 -2.999224830e+00 4.86 -2.993830885e+00 -2.993830885e+00 4.88 -2.988367018e+00 -2.988367018e+00 4.90 -2.982832209e+00 -2.982832209e+00 4.92 -2.977225777e+00 -2.977225777e+00 4.94 -2.971547384e+00 -2.971547384e+00 4.96 -2.965797035e+00 -2.965797035e+00 4.98 -2.959975082e+00 -2.959975082e+00 5.00 -2.954082225e+00 -2.954082225e+00 5.02 -2.948119515e+00 -2.948119515e+00 5.04 -2.942088397e+00 -2.942088397e+00 5.06 -2.935990746e+00 -2.935990746e+00 5.08 -2.929828872e+00 -2.929828872e+00 5.10 -2.923605527e+00 -2.923605527e+00 5.12 -2.917323897e+00 -2.917323897e+00 5.14 -2.910987606e+00 -2.910987606e+00 5.16 -2.904600707e+00 -2.904600707e+00 5.18 -2.898167683e+00 -2.898167683e+00 5.20 -2.891693434e+00 -2.891693434e+00 5.22 -2.885183276e+00 -2.885183276e+00 5.24 -2.878642912e+00 -2.878642912e+00 5.26 -2.872078221e+00 -2.872078221e+00 5.28 -2.865494970e+00 -2.865494970e+00 5.30 -2.858898781e+00 -2.858898781e+00 5.32 -2.852295117e+00 -2.852295117e+00 5.34 -2.845689286e+00 -2.845689286e+00 5.36 -2.839086428e+00 -2.839086428e+00 5.38 -2.832491515e+00 -2.832491515e+00 5.40 -2.825909346e+00 -2.825909346e+00 5.42 -2.819344546e+00 -2.819344546e+00 5.44 -2.812801562e+00 -2.812801562e+00 5.46 -2.806284664e+00 -2.806284664e+00 5.48 -2.799797940e+00 -2.799797940e+00 5.50 -2.793345299e+00 -2.793345299e+00 5.52 -2.786930466e+00 -2.786930466e+00 5.54 -2.780556990e+00 -2.780556990e+00 5.56 -2.774228235e+00 -2.774228235e+00 5.58 -2.767947388e+00 -2.767947388e+00 5.60 -2.761717458e+00 -2.761717458e+00 5.62 -2.755541275e+00 -2.755541275e+00 5.64 -2.749421495e+00 -2.749421495e+00 5.66 -2.743360600e+00 -2.743360600e+00 5.68 -2.737360899e+00 -2.737360899e+00 5.70 -2.731424533e+00 -2.731424533e+00 5.72 -2.725553474e+00 -2.725553474e+00 5.74 -2.719749527e+00 -2.719749527e+00 5.76 -2.714014338e+00 -2.714014338e+00 5.78 -2.708349389e+00 -2.708349389e+00 5.80 -2.702756003e+00 -2.702756003e+00 5.82 -2.697235348e+00 -2.697235348e+00 5.84 -2.691788437e+00 -2.691788437e+00 5.86 -2.686416132e+00 -2.686416132e+00 5.88 -2.681119146e+00 -2.681119146e+00 5.90 -2.675898043e+00 -2.675898043e+00 5.92 -2.670753241e+00 -2.670753241e+00 5.94 -2.665685015e+00 -2.665685015e+00 5.96 -2.660693500e+00 -2.660693500e+00 5.98 -2.655778689e+00 -2.655778689e+00 6.00 -2.650940436e+00 -2.650940436e+00