# 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 = CuMg2Ti # 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 2.847045063e+02 2.847045063e+02 1.30 2.635325301e+02 2.635325301e+02 1.32 2.439709176e+02 2.439709176e+02 1.34 2.258869742e+02 2.258869742e+02 1.36 2.091602603e+02 2.091602603e+02 1.38 1.936821475e+02 1.936821475e+02 1.40 1.793541786e+02 1.793541786e+02 1.42 1.660863717e+02 1.660863717e+02 1.44 1.537962051e+02 1.537962051e+02 1.46 1.424080504e+02 1.424080504e+02 1.48 1.318525210e+02 1.318525210e+02 1.50 1.220657362e+02 1.220657362e+02 1.52 1.129888166e+02 1.129888166e+02 1.54 1.045676177e+02 1.045676177e+02 1.56 9.675254626e+01 9.675254626e+01 1.58 8.949833983e+01 8.949833983e+01 1.60 8.276377198e+01 8.276377198e+01 1.62 7.651138800e+01 7.651138800e+01 1.64 7.070705863e+01 7.070705863e+01 1.66 6.531906614e+01 6.531906614e+01 1.68 6.031751223e+01 6.031751223e+01 1.70 5.567466489e+01 5.567466489e+01 1.72 5.136445667e+01 5.136445667e+01 1.74 4.736250010e+01 4.736250010e+01 1.76 4.364617163e+01 4.364617163e+01 1.78 4.019460694e+01 4.019460694e+01 1.80 3.698861930e+01 3.698861930e+01 1.82 3.401059696e+01 3.401059696e+01 1.84 3.124437170e+01 3.124437170e+01 1.86 2.867507091e+01 2.867507091e+01 1.88 2.628895002e+01 2.628895002e+01 1.90 2.407323562e+01 2.407323562e+01 1.92 2.201599817e+01 2.201599817e+01 1.94 2.010607999e+01 2.010607999e+01 1.96 1.833308453e+01 1.833308453e+01 1.98 1.668740268e+01 1.668740268e+01 2.00 1.516021315e+01 1.516021315e+01 2.02 1.374341850e+01 1.374341850e+01 2.04 1.242953732e+01 1.242953732e+01 2.06 1.121160030e+01 1.121160030e+01 2.08 1.008308352e+01 1.008308352e+01 2.10 9.037882435e+00 9.037882435e+00 2.12 8.070303636e+00 8.070303636e+00 2.14 7.175051819e+00 7.175051819e+00 2.16 6.347203200e+00 6.347203200e+00 2.18 5.582162567e+00 5.582162567e+00 2.20 4.875614335e+00 4.875614335e+00 2.22 4.223472755e+00 4.223472755e+00 2.24 3.621846073e+00 3.621846073e+00 2.26 3.067020038e+00 3.067020038e+00 2.28 2.555458524e+00 2.555458524e+00 2.30 2.083822498e+00 2.083822498e+00 2.32 1.648989239e+00 1.648989239e+00 2.34 1.248081506e+00 1.248081506e+00 2.36 8.784863715e-01 8.784863715e-01 2.38 5.378626461e-01 5.378626461e-01 2.40 2.241260243e-01 2.241260243e-01 2.42 -6.462271764e-02 -6.462271764e-02 2.44 -3.300821916e-01 -3.300821916e-01 2.46 -5.737397704e-01 -5.737397704e-01 2.48 -7.969964233e-01 -7.969964233e-01 2.50 -1.001183490e+00 -1.001183490e+00 2.52 -1.187568483e+00 -1.187568483e+00 2.54 -1.357354653e+00 -1.357354653e+00 2.56 -1.511677395e+00 -1.511677395e+00 2.58 -1.651547982e+00 -1.651547982e+00 2.60 -1.777859649e+00 -1.777859649e+00 2.62 -1.891663709e+00 -1.891663709e+00 2.64 -1.993617470e+00 -1.993617470e+00 2.66 -2.084285437e+00 -2.084285437e+00 2.68 -2.164256344e+00 -2.164256344e+00 2.70 -2.234136621e+00 -2.234136621e+00 2.72 -2.294542142e+00 -2.294542142e+00 2.74 -2.346087393e+00 -2.346087393e+00 2.76 -2.389374768e+00 -2.389374768e+00 2.78 -2.425002489e+00 -2.425002489e+00 2.80 -2.453542909e+00 -2.453542909e+00 2.82 -2.475520590e+00 -2.475520590e+00 2.84 -2.491416397e+00 -2.491416397e+00 2.86 -2.501674515e+00 -2.501674515e+00 2.88 -2.506711640e+00 -2.506711640e+00 2.90 -2.506925620e+00 -2.506925620e+00 2.92 -2.502701936e+00 -2.502701936e+00 2.94 -2.494417477e+00 -2.494417477e+00 2.96 -2.482441965e+00 -2.482441965e+00 2.98 -2.467137711e+00 -2.467137711e+00 3.00 -2.448858158e+00 -2.448858158e+00 3.02 -2.427945136e+00 -2.427945136e+00 3.04 -2.404724396e+00 -2.404724396e+00 3.06 -2.379501496e+00 -2.379501496e+00 3.08 -2.352554283e+00 -2.352554283e+00 3.10 -2.324130117e+00 -2.324130117e+00 3.12 -2.294443355e+00 -2.294443355e+00 3.14 -2.263678343e+00 -2.263678343e+00 3.16 -2.231990078e+00 -2.231990078e+00 3.18 -2.199511112e+00 -2.199511112e+00 3.20 -2.166356072e+00 -2.166356072e+00 3.22 -2.132626277e+00 -2.132626277e+00 3.24 -2.098425745e+00 -2.098425745e+00 3.26 -2.063862519e+00 -2.063862519e+00 3.28 -2.028987517e+00 -2.028987517e+00 3.30 -1.993851078e+00 -1.993851078e+00 3.32 -1.958505283e+00 -1.958505283e+00 3.34 -1.923002170e+00 -1.923002170e+00 3.36 -1.887392013e+00 -1.887392013e+00 3.38 -1.851722149e+00 -1.851722149e+00 3.40 -1.816036601e+00 -1.816036601e+00 3.42 -1.780369909e+00 -1.780369909e+00 3.44 -1.744718349e+00 -1.744718349e+00 3.46 -1.709074029e+00 -1.709074029e+00 3.48 -1.673441897e+00 -1.673441897e+00 3.50 -1.637839247e+00 -1.637839247e+00 3.52 -1.602294656e+00 -1.602294656e+00 3.54 -1.566845950e+00 -1.566845950e+00 3.56 -1.531537153e+00 -1.531537153e+00 3.58 -1.496414695e+00 -1.496414695e+00 3.60 -1.461523447e+00 -1.461523447e+00 3.62 -1.426903274e+00 -1.426903274e+00 3.64 -1.392586779e+00 -1.392586779e+00 3.66 -1.358598598e+00 -1.358598598e+00 3.68 -1.324956259e+00 -1.324956259e+00 3.70 -1.291672267e+00 -1.291672267e+00 3.72 -1.258756890e+00 -1.258756890e+00 3.74 -1.226221074e+00 -1.226221074e+00 3.76 -1.194078996e+00 -1.194078996e+00 3.78 -1.162349895e+00 -1.162349895e+00 3.80 -1.131058933e+00 -1.131058933e+00 3.82 -1.100237003e+00 -1.100237003e+00 3.84 -1.069919502e+00 -1.069919502e+00 3.86 -1.040144235e+00 -1.040144235e+00 3.88 -1.010948746e+00 -1.010948746e+00 3.90 -9.823674612e-01 -9.823674612e-01 3.92 -9.544288751e-01 -9.544288751e-01 3.94 -9.271542866e-01 -9.271542866e-01 3.96 -9.005553820e-01 -9.005553820e-01 3.98 -8.746348032e-01 -8.746348032e-01 4.00 -8.493864471e-01 -8.493864471e-01 4.02 -8.247966072e-01 -8.247966072e-01 4.04 -8.008454744e-01 -8.008454744e-01 4.06 -7.775087498e-01 -7.775087498e-01 4.08 -7.547591782e-01 -7.547591782e-01 4.10 -7.325672412e-01 -7.325672412e-01 4.12 -7.109049592e-01 -7.109049592e-01 4.14 -6.897424542e-01 -6.897424542e-01 4.16 -6.690516289e-01 -6.690516289e-01 4.18 -6.488058651e-01 -6.488058651e-01 4.20 -6.289804463e-01 -6.289804463e-01 4.22 -6.095529507e-01 -6.095529507e-01 4.24 -5.905036516e-01 -5.905036516e-01 4.26 -5.718159473e-01 -5.718159473e-01 4.28 -5.534768178e-01 -5.534768178e-01 4.30 -5.354772841e-01 -5.354772841e-01 4.32 -5.178128253e-01 -5.178128253e-01 4.34 -5.004836855e-01 -5.004836855e-01 4.36 -4.834949961e-01 -4.834949961e-01 4.38 -4.668566380e-01 -4.668566380e-01 4.40 -4.505827831e-01 -4.505827831e-01 4.42 -4.346910896e-01 -4.346910896e-01 4.44 -4.192015697e-01 -4.192015697e-01 4.46 -4.041351983e-01 -4.041351983e-01 4.48 -3.895123820e-01 -3.895123820e-01 4.50 -3.753514347e-01 -3.753514347e-01 4.52 -3.616672144e-01 -3.616672144e-01 4.54 -3.484700553e-01 -3.484700553e-01 4.56 -3.357650862e-01 -3.357650862e-01 4.58 -3.235519689e-01 -3.235519689e-01 4.60 -3.118250371e-01 -3.118250371e-01 4.62 -3.005737695e-01 -3.005737695e-01 4.64 -2.897835034e-01 -2.897835034e-01 4.66 -2.794362880e-01 -2.794362880e-01 4.68 -2.695117827e-01 -2.695117827e-01 4.70 -2.599881254e-01 -2.599881254e-01 4.72 -2.508427182e-01 -2.508427182e-01 4.74 -2.420529007e-01 -2.420529007e-01 4.76 -2.335965017e-01 -2.335965017e-01 4.78 -2.254522717e-01 -2.254522717e-01 4.80 -2.175997924e-01 -2.175997924e-01 4.82 -2.100214650e-01 -2.100214650e-01 4.84 -2.026999317e-01 -2.026999317e-01 4.86 -1.956201106e-01 -1.956201106e-01 4.88 -1.887687516e-01 -1.887687516e-01 4.90 -1.821344573e-01 -1.821344573e-01 4.92 -1.757076608e-01 -1.757076608e-01 4.94 -1.694805548e-01 -1.694805548e-01 4.96 -1.634469666e-01 -1.634469666e-01 4.98 -1.576021739e-01 -1.576021739e-01 5.00 -1.519426594e-01 -1.519426594e-01 5.02 -1.464658115e-01 -1.464658115e-01 5.04 -1.411695865e-01 -1.411695865e-01 5.06 -1.360521535e-01 -1.360521535e-01 5.08 -1.311115518e-01 -1.311115518e-01 5.10 -1.263453912e-01 -1.263453912e-01 5.12 -1.217506176e-01 -1.217506176e-01 5.14 -1.173233650e-01 -1.173233650e-01 5.16 -1.130588961e-01 -1.130588961e-01 5.18 -1.089516296e-01 -1.089516296e-01 5.20 -1.049952373e-01 -1.049952373e-01 5.22 -1.011827926e-01 -1.011827926e-01 5.24 -9.750694835e-02 -9.750694835e-02 5.26 -9.396012363e-02 -9.396012363e-02 5.28 -9.053468333e-02 -9.053468333e-02 5.30 -8.722309834e-02 -8.722309834e-02 5.32 -8.401807927e-02 -8.401807927e-02 5.34 -8.091268009e-02 -8.091268009e-02 5.36 -7.790037096e-02 -7.790037096e-02 5.38 -7.497508149e-02 -7.497508149e-02 5.40 -7.213121710e-02 -7.213121710e-02 5.42 -6.936365217e-02 -6.936365217e-02 5.44 -6.666770467e-02 -6.666770467e-02 5.46 -6.403909803e-02 -6.403909803e-02 5.48 -6.147391714e-02 -6.147391714e-02 5.50 -5.896856606e-02 -5.896856606e-02 5.52 -5.651973543e-02 -5.651973543e-02 5.54 -5.412438686e-02 -5.412438686e-02 5.56 -5.177976171e-02 -5.177976171e-02 5.58 -4.948341217e-02 -4.948341217e-02 5.60 -4.723325514e-02 -4.723325514e-02 5.62 -4.502765447e-02 -4.502765447e-02 5.64 -4.286551234e-02 -4.286551234e-02 5.66 -4.074636197e-02 -4.074636197e-02 5.68 -3.867044866e-02 -3.867044866e-02 5.70 -3.663878489e-02 -3.663878489e-02 5.72 -3.465316673e-02 -3.465316673e-02 5.74 -3.271614088e-02 -3.271614088e-02 5.76 -3.083088875e-02 -3.083088875e-02 5.78 -2.900077692e-02 -2.900077692e-02 5.80 -2.722933497e-02 -2.722933497e-02 5.82 -2.552105165e-02 -2.552105165e-02 5.84 -2.388023869e-02 -2.388023869e-02 5.86 -2.231075218e-02 -2.231075218e-02 5.88 -2.081576633e-02 -2.081576633e-02 5.90 -1.939759148e-02 -1.939759148e-02 5.92 -1.805755024e-02 -1.805755024e-02 5.94 -1.679591929e-02 -1.679591929e-02 5.96 -1.561193673e-02 -1.561193673e-02 5.98 -1.450386882e-02 -1.450386882e-02 6.00 -1.346912475e-02 -1.346912475e-02