# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = AlCuMg2 # 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 2024-04-11 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 1.986578266e+02 1.986578266e+02 1.30 1.839584034e+02 1.839584034e+02 1.32 1.703728371e+02 1.703728371e+02 1.34 1.578093306e+02 1.578093306e+02 1.36 1.461849288e+02 1.461849288e+02 1.38 1.354259845e+02 1.354259845e+02 1.40 1.254665769e+02 1.254665769e+02 1.42 1.162459869e+02 1.162459869e+02 1.44 1.077065202e+02 1.077065202e+02 1.46 9.979261614e+01 9.979261614e+01 1.48 9.245163179e+01 9.245163179e+01 1.50 8.563559913e+01 8.563559913e+01 1.52 7.930246746e+01 7.930246746e+01 1.54 7.341588456e+01 7.341588456e+01 1.56 6.794364352e+01 6.794364352e+01 1.58 6.285730489e+01 6.285730489e+01 1.60 5.813181708e+01 5.813181708e+01 1.62 5.374217209e+01 5.374217209e+01 1.64 4.966477504e+01 4.966477504e+01 1.66 4.587731230e+01 4.587731230e+01 1.68 4.235872448e+01 4.235872448e+01 1.70 3.908937830e+01 3.908937830e+01 1.72 3.605122291e+01 3.605122291e+01 1.74 3.322773403e+01 3.322773403e+01 1.76 3.060367642e+01 3.060367642e+01 1.78 2.816489138e+01 2.816489138e+01 1.80 2.589822931e+01 2.589822931e+01 1.82 2.379158046e+01 2.379158046e+01 1.84 2.183386925e+01 2.183386925e+01 1.86 2.001495952e+01 2.001495952e+01 1.88 1.832547280e+01 1.832547280e+01 1.90 1.675658081e+01 1.675658081e+01 1.92 1.529983077e+01 1.529983077e+01 1.94 1.394705998e+01 1.394705998e+01 1.96 1.269042802e+01 1.269042802e+01 1.98 1.152254673e+01 1.152254673e+01 2.00 1.043663723e+01 1.043663723e+01 2.02 9.426637705e+00 9.426637705e+00 2.04 8.487218545e+00 8.487218545e+00 2.06 7.613701330e+00 7.613701330e+00 2.08 6.801914862e+00 6.801914862e+00 2.10 6.048043588e+00 6.048043588e+00 2.12 5.348509365e+00 5.348509365e+00 2.14 4.699903555e+00 4.699903555e+00 2.16 4.098962401e+00 4.098962401e+00 2.18 3.542564841e+00 3.542564841e+00 2.20 3.027740074e+00 3.027740074e+00 2.22 2.551671551e+00 2.551671551e+00 2.24 2.111698732e+00 2.111698732e+00 2.26 1.705315678e+00 1.705315678e+00 2.28 1.330165900e+00 1.330165900e+00 2.30 9.840421477e-01 9.840421477e-01 2.32 6.648842535e-01 6.648842535e-01 2.34 3.707898352e-01 3.707898352e-01 2.36 1.000238418e-01 1.000238418e-01 2.38 -1.489748051e-01 -1.489748051e-01 2.40 -3.776013333e-01 -3.776013333e-01 2.42 -5.871110984e-01 -5.871110984e-01 2.44 -7.786555396e-01 -7.786555396e-01 2.46 -9.533210454e-01 -9.533210454e-01 2.48 -1.112159384e+00 -1.112159384e+00 2.50 -1.256206936e+00 -1.256206936e+00 2.52 -1.386501687e+00 -1.386501687e+00 2.54 -1.504822472e+00 -1.504822472e+00 2.56 -1.612271860e+00 -1.612271860e+00 2.58 -1.709361402e+00 -1.709361402e+00 2.60 -1.796687536e+00 -1.796687536e+00 2.62 -1.874897044e+00 -1.874897044e+00 2.64 -1.944648884e+00 -1.944648884e+00 2.66 -2.006575224e+00 -2.006575224e+00 2.68 -2.061255522e+00 -2.061255522e+00 2.70 -2.109213115e+00 -2.109213115e+00 2.72 -2.150937741e+00 -2.150937741e+00 2.74 -2.186859465e+00 -2.186859465e+00 2.76 -2.217349365e+00 -2.217349365e+00 2.78 -2.242728112e+00 -2.242728112e+00 2.80 -2.263273796e+00 -2.263273796e+00 2.82 -2.279226610e+00 -2.279226610e+00 2.84 -2.290797086e+00 -2.290797086e+00 2.86 -2.298173911e+00 -2.298173911e+00 2.88 -2.301532667e+00 -2.301532667e+00 2.90 -2.301044490e+00 -2.301044490e+00 2.92 -2.296884152e+00 -2.296884152e+00 2.94 -2.289237409e+00 -2.289237409e+00 2.96 -2.278307549e+00 -2.278307549e+00 2.98 -2.264320902e+00 -2.264320902e+00 3.00 -2.247530654e+00 -2.247530654e+00 3.02 -2.228217862e+00 -2.228217862e+00 3.04 -2.206688168e+00 -2.206688168e+00 3.06 -2.183265072e+00 -2.183265072e+00 3.08 -2.158275754e+00 -2.158275754e+00 3.10 -2.132037165e+00 -2.132037165e+00 3.12 -2.104840031e+00 -2.104840031e+00 3.14 -2.076939821e+00 -2.076939821e+00 3.16 -2.048571010e+00 -2.048571010e+00 3.18 -2.019883822e+00 -2.019883822e+00 3.20 -1.990974914e+00 -1.990974914e+00 3.22 -1.961910158e+00 -1.961910158e+00 3.24 -1.932732953e+00 -1.932732953e+00 3.26 -1.903472384e+00 -1.903472384e+00 3.28 -1.874150041e+00 -1.874150041e+00 3.30 -1.844784822e+00 -1.844784822e+00 3.32 -1.815395629e+00 -1.815395629e+00 3.34 -1.786001064e+00 -1.786001064e+00 3.36 -1.756599506e+00 -1.756599506e+00 3.38 -1.727173726e+00 -1.727173726e+00 3.40 -1.697712956e+00 -1.697712956e+00 3.42 -1.668212686e+00 -1.668212686e+00 3.44 -1.638673370e+00 -1.638673370e+00 3.46 -1.609100182e+00 -1.609100182e+00 3.48 -1.579502363e+00 -1.579502363e+00 3.50 -1.549892571e+00 -1.549892571e+00 3.52 -1.520286099e+00 -1.520286099e+00 3.54 -1.490700038e+00 -1.490700038e+00 3.56 -1.461152453e+00 -1.461152453e+00 3.58 -1.431661666e+00 -1.431661666e+00 3.60 -1.402245722e+00 -1.402245722e+00 3.62 -1.372922089e+00 -1.372922089e+00 3.64 -1.343707616e+00 -1.343707616e+00 3.66 -1.314618757e+00 -1.314618757e+00 3.68 -1.285672043e+00 -1.285672043e+00 3.70 -1.256884762e+00 -1.256884762e+00 3.72 -1.228275758e+00 -1.228275758e+00 3.74 -1.199866258e+00 -1.199866258e+00 3.76 -1.171680574e+00 -1.171680574e+00 3.78 -1.143746512e+00 -1.143746512e+00 3.80 -1.116095333e+00 -1.116095333e+00 3.82 -1.088761119e+00 -1.088761119e+00 3.84 -1.061779521e+00 -1.061779521e+00 3.86 -1.035185923e+00 -1.035185923e+00 3.88 -1.009013233e+00 -1.009013233e+00 3.90 -9.832895741e-01 -9.832895741e-01 3.92 -9.580360542e-01 -9.580360542e-01 3.94 -9.332659426e-01 -9.332659426e-01 3.96 -9.089827934e-01 -9.089827934e-01 3.98 -8.851812619e-01 -8.851812619e-01 4.00 -8.618476608e-01 -8.618476608e-01 4.02 -8.389612764e-01 -8.389612764e-01 4.04 -8.164960171e-01 -8.164960171e-01 4.06 -7.944221924e-01 -7.944221924e-01 4.08 -7.727082684e-01 -7.727082684e-01 4.10 -7.513219434e-01 -7.513219434e-01 4.12 -7.302340344e-01 -7.302340344e-01 4.14 -7.094160550e-01 -7.094160550e-01 4.16 -6.888441132e-01 -6.888441132e-01 4.18 -6.684993085e-01 -6.684993085e-01 4.20 -6.483687125e-01 -6.483687125e-01 4.22 -6.284461818e-01 -6.284461818e-01 4.24 -6.087329406e-01 -6.087329406e-01 4.26 -5.892378584e-01 -5.892378584e-01 4.28 -5.699773509e-01 -5.699773509e-01 4.30 -5.509748529e-01 -5.509748529e-01 4.32 -5.322598542e-01 -5.322598542e-01 4.34 -5.138665325e-01 -5.138665325e-01 4.36 -4.958320695e-01 -4.958320695e-01 4.38 -4.781947642e-01 -4.781947642e-01 4.40 -4.609920766e-01 -4.609920766e-01 4.42 -4.442587297e-01 -4.442587297e-01 4.44 -4.280249785e-01 -4.280249785e-01 4.46 -4.123151345e-01 -4.123151345e-01 4.48 -3.971464090e-01 -3.971464090e-01 4.50 -3.825281209e-01 -3.825281209e-01 4.52 -3.684612949e-01 -3.684612949e-01 4.54 -3.549386578e-01 -3.549386578e-01 4.56 -3.419450166e-01 -3.419450166e-01 4.58 -3.294579755e-01 -3.294579755e-01 4.60 -3.174489283e-01 -3.174489283e-01 4.62 -3.058842470e-01 -3.058842470e-01 4.64 -2.947265827e-01 -2.947265827e-01 4.66 -2.839362015e-01 -2.839362015e-01 4.68 -2.734722953e-01 -2.734722953e-01 4.70 -2.632942242e-01 -2.632942242e-01 4.72 -2.533626692e-01 -2.533626692e-01 4.74 -2.436406890e-01 -2.436406890e-01 4.76 -2.340946831e-01 -2.340946831e-01 4.78 -2.246952677e-01 -2.246952677e-01 4.80 -2.154176862e-01 -2.154176862e-01 4.82 -2.062440839e-01 -2.062440839e-01 4.84 -1.971616056e-01 -1.971616056e-01 4.86 -1.881645595e-01 -1.881645595e-01 4.88 -1.792541879e-01 -1.792541879e-01 4.90 -1.704386500e-01 -1.704386500e-01 4.92 -1.617327088e-01 -1.617327088e-01 4.94 -1.531570903e-01 -1.531570903e-01 4.96 -1.447375076e-01 -1.447375076e-01 4.98 -1.365033755e-01 -1.365033755e-01 5.00 -1.284862792e-01 -1.284862792e-01 5.02 -1.207182938e-01 -1.207182938e-01 5.04 -1.132302787e-01 -1.132302787e-01 5.06 -1.060502788e-01 -1.060502788e-01 5.08 -9.920215493e-02 -9.920215493e-02 5.10 -9.270454376e-02 -9.270454376e-02 5.12 -8.657020469e-02 -8.657020469e-02 5.14 -8.080577204e-02 -8.080577204e-02 5.16 -7.541188587e-02 -7.541188587e-02 5.18 -7.038364333e-02 -7.038364333e-02 5.20 -6.571129571e-02 -6.571129571e-02 5.22 -6.138109358e-02 -6.138109358e-02 5.24 -5.737618277e-02 -5.737618277e-02 5.26 -5.367754150e-02 -5.367754150e-02 5.28 -5.026483678e-02 -5.026483678e-02 5.30 -4.711718282e-02 -4.711718282e-02 5.32 -4.421368452e-02 -4.421368452e-02 5.34 -4.153292981e-02 -4.153292981e-02 5.36 -3.905612299e-02 -3.905612299e-02 5.38 -3.676598275e-02 -3.676598275e-02 5.40 -3.464635467e-02 -3.464635467e-02 5.42 -3.268238187e-02 -3.268238187e-02 5.44 -3.086056833e-02 -3.086056833e-02 5.46 -2.916875993e-02 -2.916875993e-02 5.48 -2.759606584e-02 -2.759606584e-02 5.50 -2.613274054e-02 -2.613274054e-02 5.52 -2.477004454e-02 -2.477004454e-02 5.54 -2.350009899e-02 -2.350009899e-02 5.56 -2.231574664e-02 -2.231574664e-02 5.58 -2.121042793e-02 -2.121042793e-02 5.60 -2.017807787e-02 -2.017807787e-02 5.62 -1.921304571e-02 -1.921304571e-02 5.64 -1.831003669e-02 -1.831003669e-02 5.66 -1.746407312e-02 -1.746407312e-02 5.68 -1.667047048e-02 -1.667047048e-02 5.70 -1.592482438e-02 -1.592482438e-02 5.72 -1.522300373e-02 -1.522300373e-02 5.74 -1.456114651e-02 -1.456114651e-02 5.76 -1.393562556e-02 -1.393562556e-02 5.78 -1.334309331e-02 -1.334309331e-02 5.80 -1.278047703e-02 -1.278047703e-02 5.82 -1.224494669e-02 -1.224494669e-02 5.84 -1.173390340e-02 -1.173390340e-02 5.86 -1.124496630e-02 -1.124496630e-02 5.88 -1.077595878e-02 -1.077595878e-02 5.90 -1.032489453e-02 -1.032489453e-02 5.92 -9.889964368e-03 -9.889964368e-03 5.94 -9.469524267e-03 -9.469524267e-03 5.96 -9.062085079e-03 -9.062085079e-03 5.98 -8.666304381e-03 -8.666304381e-03 6.00 -8.280980591e-03 -8.280980591e-03