# 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 = Mg2MoPt # 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 3.944179986e+02 3.944179986e+02 1.30 3.661320593e+02 3.661320593e+02 1.32 3.398546351e+02 3.398546351e+02 1.34 3.154564904e+02 3.154564904e+02 1.36 2.928217012e+02 2.928217012e+02 1.38 2.718345750e+02 2.718345750e+02 1.40 2.523729040e+02 2.523729040e+02 1.42 2.343102835e+02 2.343102835e+02 1.44 2.175236283e+02 2.175236283e+02 1.46 2.019006113e+02 2.019006113e+02 1.48 1.873436434e+02 1.873436434e+02 1.50 1.737695622e+02 1.737695622e+02 1.52 1.611063939e+02 1.611063939e+02 1.54 1.492895015e+02 1.492895015e+02 1.56 1.382588895e+02 1.382588895e+02 1.58 1.279579448e+02 1.279579448e+02 1.60 1.183330951e+02 1.183330951e+02 1.62 1.093339729e+02 1.093339729e+02 1.64 1.009140754e+02 1.009140754e+02 1.66 9.303177829e+01 9.303177829e+01 1.68 8.565174432e+01 8.565174432e+01 1.70 7.875161665e+01 7.875161665e+01 1.72 7.236211792e+01 7.236211792e+01 1.74 6.646632517e+01 6.646632517e+01 1.76 6.103115681e+01 6.103115681e+01 1.78 5.602304349e+01 5.602304349e+01 1.80 5.140812605e+01 5.140812605e+01 1.82 4.715342758e+01 4.715342758e+01 1.84 4.322798195e+01 4.322798195e+01 1.86 3.960347628e+01 3.960347628e+01 1.88 3.625436968e+01 3.625436968e+01 1.90 3.315769375e+01 3.315769375e+01 1.92 3.029277338e+01 3.029277338e+01 1.94 2.764100253e+01 2.764100253e+01 1.96 2.518570565e+01 2.518570565e+01 1.98 2.291201130e+01 2.291201130e+01 2.00 2.080666559e+01 2.080666559e+01 2.02 1.885776105e+01 1.885776105e+01 2.04 1.705442892e+01 1.705442892e+01 2.06 1.538656496e+01 1.538656496e+01 2.08 1.384463395e+01 1.384463395e+01 2.10 1.241956533e+01 1.241956533e+01 2.12 1.110272317e+01 1.110272317e+01 2.14 9.885934023e+00 9.885934023e+00 2.16 8.761547093e+00 8.761547093e+00 2.18 7.722496326e+00 7.722496326e+00 2.20 6.762340447e+00 6.762340447e+00 2.22 5.875262135e+00 5.875262135e+00 2.24 5.056032947e+00 5.056032947e+00 2.26 4.299955618e+00 4.299955618e+00 2.28 3.602794775e+00 3.602794775e+00 2.30 2.960709899e+00 2.960709899e+00 2.32 2.370183760e+00 2.370183760e+00 2.34 1.827960323e+00 1.827960323e+00 2.36 1.330984868e+00 1.330984868e+00 2.38 8.763552197e-01 8.763552197e-01 2.40 4.612997587e-01 4.612997587e-01 2.42 8.310220370e-02 8.310220370e-02 2.44 -2.621677168e-01 -2.621677168e-01 2.46 -5.771047150e-01 -5.771047150e-01 2.48 -8.638969070e-01 -8.638969070e-01 2.50 -1.124679848e+00 -1.124679848e+00 2.52 -1.361517061e+00 -1.361517061e+00 2.54 -1.576372444e+00 -1.576372444e+00 2.56 -1.771071781e+00 -1.771071781e+00 2.58 -1.947185549e+00 -1.947185549e+00 2.60 -2.105965454e+00 -2.105965454e+00 2.62 -2.248476267e+00 -2.248476267e+00 2.64 -2.375617739e+00 -2.375617739e+00 2.66 -2.488149159e+00 -2.488149159e+00 2.68 -2.586728762e+00 -2.586728762e+00 2.70 -2.671950122e+00 -2.671950122e+00 2.72 -2.744370961e+00 -2.744370961e+00 2.74 -2.804531712e+00 -2.804531712e+00 2.76 -2.852965331e+00 -2.852965331e+00 2.78 -2.890201449e+00 -2.890201449e+00 2.80 -2.916769985e+00 -2.916769985e+00 2.82 -2.933203604e+00 -2.933203604e+00 2.84 -2.940046374e+00 -2.940046374e+00 2.86 -2.937865160e+00 -2.937865160e+00 2.88 -2.927264821e+00 -2.927264821e+00 2.90 -2.908904559e+00 -2.908904559e+00 2.92 -2.883511600e+00 -2.883511600e+00 2.94 -2.851887339e+00 -2.851887339e+00 2.96 -2.814901220e+00 -2.814901220e+00 2.98 -2.773469521e+00 -2.773469521e+00 3.00 -2.728519837e+00 -2.728519837e+00 3.02 -2.680946406e+00 -2.680946406e+00 3.04 -2.631564403e+00 -2.631564403e+00 3.06 -2.581138449e+00 -2.581138449e+00 3.08 -2.530575953e+00 -2.530575953e+00 3.10 -2.480567971e+00 -2.480567971e+00 3.12 -2.431503846e+00 -2.431503846e+00 3.14 -2.383546253e+00 -2.383546253e+00 3.16 -2.336698581e+00 -2.336698581e+00 3.18 -2.290868018e+00 -2.290868018e+00 3.20 -2.245912204e+00 -2.245912204e+00 3.22 -2.201673371e+00 -2.201673371e+00 3.24 -2.158001182e+00 -2.158001182e+00 3.26 -2.114766702e+00 -2.114766702e+00 3.28 -2.071869766e+00 -2.071869766e+00 3.30 -2.029241615e+00 -2.029241615e+00 3.32 -1.986844305e+00 -1.986844305e+00 3.34 -1.944668137e+00 -1.944668137e+00 3.36 -1.902733975e+00 -1.902733975e+00 3.38 -1.861127360e+00 -1.861127360e+00 3.40 -1.819850865e+00 -1.819850865e+00 3.42 -1.778906526e+00 -1.778906526e+00 3.44 -1.738321366e+00 -1.738321366e+00 3.46 -1.698144106e+00 -1.698144106e+00 3.48 -1.658440341e+00 -1.658440341e+00 3.50 -1.619243504e+00 -1.619243504e+00 3.52 -1.580489147e+00 -1.580489147e+00 3.54 -1.542141496e+00 -1.542141496e+00 3.56 -1.504206486e+00 -1.504206486e+00 3.58 -1.466719200e+00 -1.466719200e+00 3.60 -1.429731937e+00 -1.429731937e+00 3.62 -1.393303823e+00 -1.393303823e+00 3.64 -1.357492544e+00 -1.357492544e+00 3.66 -1.322348409e+00 -1.322348409e+00 3.68 -1.287910665e+00 -1.287910665e+00 3.70 -1.254205774e+00 -1.254205774e+00 3.72 -1.221247241e+00 -1.221247241e+00 3.74 -1.189036553e+00 -1.189036553e+00 3.76 -1.157564816e+00 -1.157564816e+00 3.78 -1.126814739e+00 -1.126814739e+00 3.80 -1.096762659e+00 -1.096762659e+00 3.82 -1.067380414e+00 -1.067380414e+00 3.84 -1.038636906e+00 -1.038636906e+00 3.86 -1.010499276e+00 -1.010499276e+00 3.88 -9.829337172e-01 -9.829337172e-01 3.90 -9.559059687e-01 -9.559059687e-01 3.92 -9.293814684e-01 -9.293814684e-01 3.94 -9.033263614e-01 -9.033263614e-01 3.96 -8.777068106e-01 -8.777068106e-01 3.98 -8.524904725e-01 -8.524904725e-01 4.00 -8.276472809e-01 -8.276472809e-01 4.02 -8.031507470e-01 -8.031507470e-01 4.04 -7.789794968e-01 -7.789794968e-01 4.06 -7.551189240e-01 -7.551189240e-01 4.08 -7.315627924e-01 -7.315627924e-01 4.10 -7.083141188e-01 -7.083141188e-01 4.12 -6.853880254e-01 -6.853880254e-01 4.14 -6.628088046e-01 -6.628088046e-01 4.16 -6.406114464e-01 -6.406114464e-01 4.18 -6.188393986e-01 -6.188393986e-01 4.20 -5.975419772e-01 -5.975419772e-01 4.22 -5.767710137e-01 -5.767710137e-01 4.24 -5.565770538e-01 -5.565770538e-01 4.26 -5.370055254e-01 -5.370055254e-01 4.28 -5.180933106e-01 -5.180933106e-01 4.30 -4.998661014e-01 -4.998661014e-01 4.32 -4.823367842e-01 -4.823367842e-01 4.34 -4.655049308e-01 -4.655049308e-01 4.36 -4.493573112e-01 -4.493573112e-01 4.38 -4.338692173e-01 -4.338692173e-01 4.40 -4.190063245e-01 -4.190063245e-01 4.42 -4.047268093e-01 -4.047268093e-01 4.44 -3.909834835e-01 -3.909834835e-01 4.46 -3.777257697e-01 -3.777257697e-01 4.48 -3.649014159e-01 -3.649014159e-01 4.50 -3.524579154e-01 -3.524579154e-01 4.52 -3.403436434e-01 -3.403436434e-01 4.54 -3.285087619e-01 -3.285087619e-01 4.56 -3.169059560e-01 -3.169059560e-01 4.58 -3.054910741e-01 -3.054910741e-01 4.60 -2.942237344e-01 -2.942237344e-01 4.62 -2.830679520e-01 -2.830679520e-01 4.64 -2.719928180e-01 -2.719928180e-01 4.66 -2.609732434e-01 -2.609732434e-01 4.68 -2.499907522e-01 -2.499907522e-01 4.70 -2.390342813e-01 -2.390342813e-01 4.72 -2.281009188e-01 -2.281009188e-01 4.74 -2.171964877e-01 -2.171964877e-01 4.76 -2.063358679e-01 -2.063358679e-01 4.78 -1.955429460e-01 -1.955429460e-01 4.80 -1.848497225e-01 -1.848497225e-01 4.82 -1.742968452e-01 -1.742968452e-01 4.84 -1.639295641e-01 -1.639295641e-01 4.86 -1.537974145e-01 -1.537974145e-01 4.88 -1.439513646e-01 -1.439513646e-01 4.90 -1.344412545e-01 -1.344412545e-01 4.92 -1.253132845e-01 -1.253132845e-01 4.94 -1.166077710e-01 -1.166077710e-01 4.96 -1.083573574e-01 -1.083573574e-01 4.98 -1.005858100e-01 -1.005858100e-01 5.00 -9.330745383e-02 -9.330745383e-02 5.02 -8.652723164e-02 -8.652723164e-02 5.04 -8.024130311e-02 -8.024130311e-02 5.06 -7.443805982e-02 -7.443805982e-02 5.08 -6.909941180e-02 -6.909941180e-02 5.10 -6.420220379e-02 -6.420220379e-02 5.12 -5.971964722e-02 -5.971964722e-02 5.14 -5.562263055e-02 -5.562263055e-02 5.16 -5.188090459e-02 -5.188090459e-02 5.18 -4.846408718e-02 -4.846408718e-02 5.20 -4.534245333e-02 -4.534245333e-02 5.22 -4.248753442e-02 -4.248753442e-02 5.24 -3.987218838e-02 -3.987218838e-02 5.26 -3.747069133e-02 -3.747069133e-02 5.28 -3.526101114e-02 -3.526101114e-02 5.30 -3.322312413e-02 -3.322312413e-02 5.32 -3.133895883e-02 -3.133895883e-02 5.34 -2.959241334e-02 -2.959241334e-02 5.36 -2.796930345e-02 -2.796930345e-02 5.38 -2.645726243e-02 -2.645726243e-02 5.40 -2.504560613e-02 -2.504560613e-02 5.42 -2.372517386e-02 -2.372517386e-02 5.44 -2.248815342e-02 -2.248815342e-02 5.46 -2.132789699e-02 -2.132789699e-02 5.48 -2.023873424e-02 -2.023873424e-02 5.50 -1.921578944e-02 -1.921578944e-02 5.52 -1.825480914e-02 -1.825480914e-02 5.54 -1.735200672e-02 -1.735200672e-02 5.56 -1.650392921e-02 -1.650392921e-02 5.58 -1.570734990e-02 -1.570734990e-02 5.60 -1.495918812e-02 -1.495918812e-02 5.62 -1.425645564e-02 -1.425645564e-02 5.64 -1.359622657e-02 -1.359622657e-02 5.66 -1.297562671e-02 -1.297562671e-02 5.68 -1.239183715e-02 -1.239183715e-02 5.70 -1.184210708e-02 -1.184210708e-02 5.72 -1.132377111e-02 -1.132377111e-02 5.74 -1.083426794e-02 -1.083426794e-02 5.76 -1.037118887e-02 -1.037118887e-02 5.78 -9.932237906e-03 -9.932237906e-03 5.80 -9.515238332e-03 -9.515238332e-03 5.82 -9.118160420e-03 -9.118160420e-03 5.84 -8.739121826e-03 -8.739121826e-03 5.86 -8.376384895e-03 -8.376384895e-03 5.88 -8.028351717e-03 -8.028351717e-03 5.90 -7.693557796e-03 -7.693557796e-03 5.92 -7.370665114e-03 -7.370665114e-03 5.94 -7.058455282e-03 -7.058455282e-03 5.96 -6.755823330e-03 -6.755823330e-03 5.98 -6.461772574e-03 -6.461772574e-03 6.00 -6.175410838e-03 -6.175410838e-03