# 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 = Al2PbTi # 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 2.028216590e+02 2.028216590e+02 1.30 1.893722544e+02 1.893722544e+02 1.32 1.768556572e+02 1.768556572e+02 1.34 1.651981934e+02 1.651981934e+02 1.36 1.543323705e+02 1.543323705e+02 1.38 1.441966062e+02 1.441966062e+02 1.40 1.347351483e+02 1.347351483e+02 1.42 1.258976843e+02 1.258976843e+02 1.44 1.176385759e+02 1.176385759e+02 1.46 1.099162092e+02 1.099162092e+02 1.48 1.026926965e+02 1.026926965e+02 1.50 9.593362507e+01 9.593362507e+01 1.52 8.960758697e+01 8.960758697e+01 1.54 8.368551810e+01 8.368551810e+01 1.56 7.814006781e+01 7.814006781e+01 1.58 7.294523001e+01 7.294523001e+01 1.60 6.807633946e+01 6.807633946e+01 1.62 6.351036524e+01 6.351036524e+01 1.64 5.922627427e+01 5.922627427e+01 1.66 5.520521842e+01 5.520521842e+01 1.68 5.143039425e+01 5.143039425e+01 1.70 4.788697673e+01 4.788697673e+01 1.72 4.456582626e+01 4.456582626e+01 1.74 4.145406975e+01 4.145406975e+01 1.76 3.853931275e+01 3.853931275e+01 1.78 3.580962670e+01 3.580962670e+01 1.80 3.325191407e+01 3.325191407e+01 1.82 3.085417032e+01 3.085417032e+01 1.84 2.860555468e+01 2.860555468e+01 1.86 2.649631486e+01 2.649631486e+01 1.88 2.451762229e+01 2.451762229e+01 1.90 2.266137391e+01 2.266137391e+01 1.92 2.092003089e+01 2.092003089e+01 1.94 1.928652319e+01 1.928652319e+01 1.96 1.775422275e+01 1.775422275e+01 1.98 1.631695565e+01 1.631695565e+01 2.00 1.496900239e+01 1.496900239e+01 2.02 1.370506018e+01 1.370506018e+01 2.04 1.252017476e+01 1.252017476e+01 2.06 1.140967403e+01 1.140967403e+01 2.08 1.036912493e+01 1.036912493e+01 2.10 9.394318594e+00 9.394318594e+00 2.12 8.481267338e+00 8.481267338e+00 2.14 7.626203169e+00 7.626203169e+00 2.16 6.825576209e+00 6.825576209e+00 2.18 6.076056774e+00 6.076056774e+00 2.20 5.374539177e+00 5.374539177e+00 2.22 4.718145376e+00 4.718145376e+00 2.24 4.104217574e+00 4.104217574e+00 2.26 3.530297629e+00 3.530297629e+00 2.28 2.994094325e+00 2.994094325e+00 2.30 2.493456513e+00 2.493456513e+00 2.32 2.026349575e+00 2.026349575e+00 2.34 1.590852560e+00 1.590852560e+00 2.36 1.185158760e+00 1.185158760e+00 2.38 8.075781322e-01 8.075781322e-01 2.40 4.565320543e-01 4.565320543e-01 2.42 1.305398983e-01 1.305398983e-01 2.44 -1.717999417e-01 -1.717999417e-01 2.46 -4.518287463e-01 -4.518287463e-01 2.48 -7.108422119e-01 -7.108422119e-01 2.50 -9.500986807e-01 -9.500986807e-01 2.52 -1.170821472e+00 -1.170821472e+00 2.54 -1.374198261e+00 -1.374198261e+00 2.56 -1.561380930e+00 -1.561380930e+00 2.58 -1.733487067e+00 -1.733487067e+00 2.60 -1.891635605e+00 -1.891635605e+00 2.62 -2.036881346e+00 -2.036881346e+00 2.64 -2.170163861e+00 -2.170163861e+00 2.66 -2.292365352e+00 -2.292365352e+00 2.68 -2.404292654e+00 -2.404292654e+00 2.70 -2.506663161e+00 -2.506663161e+00 2.72 -2.600101823e+00 -2.600101823e+00 2.74 -2.685148254e+00 -2.685148254e+00 2.76 -2.762266515e+00 -2.762266515e+00 2.78 -2.831814553e+00 -2.831814553e+00 2.80 -2.894086854e+00 -2.894086854e+00 2.82 -2.949365769e+00 -2.949365769e+00 2.84 -2.997989554e+00 -2.997989554e+00 2.86 -3.041257197e+00 -3.041257197e+00 2.88 -3.079454709e+00 -3.079454709e+00 2.90 -3.112453462e+00 -3.112453462e+00 2.92 -3.140182926e+00 -3.140182926e+00 2.94 -3.162626729e+00 -3.162626729e+00 2.96 -3.179822129e+00 -3.179822129e+00 2.98 -3.191862385e+00 -3.191862385e+00 3.00 -3.198900607e+00 -3.198900607e+00 3.02 -3.201154044e+00 -3.201154044e+00 3.04 -3.198920163e+00 -3.198920163e+00 3.06 -3.192563919e+00 -3.192563919e+00 3.08 -3.182479863e+00 -3.182479863e+00 3.10 -3.169073963e+00 -3.169073963e+00 3.12 -3.152740580e+00 -3.152740580e+00 3.14 -3.133845674e+00 -3.133845674e+00 3.16 -3.112711061e+00 -3.112711061e+00 3.18 -3.089611089e+00 -3.089611089e+00 3.20 -3.064772642e+00 -3.064772642e+00 3.22 -3.038379776e+00 -3.038379776e+00 3.24 -3.010580279e+00 -3.010580279e+00 3.26 -2.981492550e+00 -2.981492550e+00 3.28 -2.951211976e+00 -2.951211976e+00 3.30 -2.919816505e+00 -2.919816505e+00 3.32 -2.887382399e+00 -2.887382399e+00 3.34 -2.853981020e+00 -2.853981020e+00 3.36 -2.819646266e+00 -2.819646266e+00 3.38 -2.784412755e+00 -2.784412755e+00 3.40 -2.748319199e+00 -2.748319199e+00 3.42 -2.711410771e+00 -2.711410771e+00 3.44 -2.673739760e+00 -2.673739760e+00 3.46 -2.635367203e+00 -2.635367203e+00 3.48 -2.596363258e+00 -2.596363258e+00 3.50 -2.556807071e+00 -2.556807071e+00 3.52 -2.516785660e+00 -2.516785660e+00 3.54 -2.476389540e+00 -2.476389540e+00 3.56 -2.435709202e+00 -2.435709202e+00 3.58 -2.394835843e+00 -2.394835843e+00 3.60 -2.353857745e+00 -2.353857745e+00 3.62 -2.312856839e+00 -2.312856839e+00 3.64 -2.271906162e+00 -2.271906162e+00 3.66 -2.231068515e+00 -2.231068515e+00 3.68 -2.190396291e+00 -2.190396291e+00 3.70 -2.149932208e+00 -2.149932208e+00 3.72 -2.109710528e+00 -2.109710528e+00 3.74 -2.069758360e+00 -2.069758360e+00 3.76 -2.030096776e+00 -2.030096776e+00 3.78 -1.990741623e+00 -1.990741623e+00 3.80 -1.951704057e+00 -1.951704057e+00 3.82 -1.912990909e+00 -1.912990909e+00 3.84 -1.874605016e+00 -1.874605016e+00 3.86 -1.836545602e+00 -1.836545602e+00 3.88 -1.798808790e+00 -1.798808790e+00 3.90 -1.761388197e+00 -1.761388197e+00 3.92 -1.724275215e+00 -1.724275215e+00 3.94 -1.687461273e+00 -1.687461273e+00 3.96 -1.650935863e+00 -1.650935863e+00 3.98 -1.614688798e+00 -1.614688798e+00 4.00 -1.578710071e+00 -1.578710071e+00 4.02 -1.542990099e+00 -1.542990099e+00 4.04 -1.507519917e+00 -1.507519917e+00 4.06 -1.472291389e+00 -1.472291389e+00 4.08 -1.437297528e+00 -1.437297528e+00 4.10 -1.402531907e+00 -1.402531907e+00 4.12 -1.367993851e+00 -1.367993851e+00 4.14 -1.333682331e+00 -1.333682331e+00 4.16 -1.299602066e+00 -1.299602066e+00 4.18 -1.265763495e+00 -1.265763495e+00 4.20 -1.232184049e+00 -1.232184049e+00 4.22 -1.198889232e+00 -1.198889232e+00 4.24 -1.165913283e+00 -1.165913283e+00 4.26 -1.133299212e+00 -1.133299212e+00 4.28 -1.101098030e+00 -1.101098030e+00 4.30 -1.069367088e+00 -1.069367088e+00 4.32 -1.038167565e+00 -1.038167565e+00 4.34 -1.007561266e+00 -1.007561266e+00 4.36 -9.776070631e-01 -9.776070631e-01 4.38 -9.483573334e-01 -9.483573334e-01 4.40 -9.198548080e-01 -9.198548080e-01 4.42 -8.921301580e-01 -8.921301580e-01 4.44 -8.652005301e-01 -8.652005301e-01 4.46 -8.390690951e-01 -8.390690951e-01 4.48 -8.137255302e-01 -8.137255302e-01 4.50 -7.891472491e-01 -7.891472491e-01 4.52 -7.653011394e-01 -7.653011394e-01 4.54 -7.421455600e-01 -7.421455600e-01 4.56 -7.196323828e-01 -7.196323828e-01 4.58 -6.977089228e-01 -6.977089228e-01 4.60 -6.763196613e-01 -6.763196613e-01 4.62 -6.554077254e-01 -6.554077254e-01 4.64 -6.349161341e-01 -6.349161341e-01 4.66 -6.147888528e-01 -6.147888528e-01 4.68 -5.949717164e-01 -5.949717164e-01 4.70 -5.754132850e-01 -5.754132850e-01 4.72 -5.560656965e-01 -5.560656965e-01 4.74 -5.368855647e-01 -5.368855647e-01 4.76 -5.178349587e-01 -5.178349587e-01 4.78 -4.988824722e-01 -4.988824722e-01 4.80 -4.800036333e-01 -4.800036333e-01 4.82 -4.611851444e-01 -4.611851444e-01 4.84 -4.424212311e-01 -4.424212311e-01 4.86 -4.237179554e-01 -4.237179554e-01 4.88 -4.050930497e-01 -4.050930497e-01 4.90 -3.865762100e-01 -3.865762100e-01 4.92 -3.682088449e-01 -3.682088449e-01 4.94 -3.500431769e-01 -3.500431769e-01 4.96 -3.321406457e-01 -3.321406457e-01 4.98 -3.145696303e-01 -3.145696303e-01 5.00 -2.974025902e-01 -2.974025902e-01 5.02 -2.807128066e-01 -2.807128066e-01 5.04 -2.645709661e-01 -2.645709661e-01 5.06 -2.490418678e-01 -2.490418678e-01 5.08 -2.341815275e-01 -2.341815275e-01 5.10 -2.200349110e-01 -2.200349110e-01 5.12 -2.066344533e-01 -2.066344533e-01 5.14 -1.939994257e-01 -1.939994257e-01 5.16 -1.821361183e-01 -1.821361183e-01 5.18 -1.710387240e-01 -1.710387240e-01 5.20 -1.606907573e-01 -1.606907573e-01 5.22 -1.510668135e-01 -1.510668135e-01 5.24 -1.421344805e-01 -1.421344805e-01 5.26 -1.338562317e-01 -1.338562317e-01 5.28 -1.261911935e-01 -1.261911935e-01 5.30 -1.190966903e-01 -1.190966903e-01 5.32 -1.125295186e-01 -1.125295186e-01 5.34 -1.064469517e-01 -1.064469517e-01 5.36 -1.008074945e-01 -1.008074945e-01 5.38 -9.557137054e-02 -9.557137054e-02 5.40 -9.070032311e-02 -9.070032311e-02 5.42 -8.615934156e-02 -8.615934156e-02 5.44 -8.191590520e-02 -8.191590520e-02 5.46 -7.793953175e-02 -7.793953175e-02 5.48 -7.420233957e-02 -7.420233957e-02 5.50 -7.067876358e-02 -7.067876358e-02 5.52 -6.734544039e-02 -6.734544039e-02 5.54 -6.418117841e-02 -6.418117841e-02 5.56 -6.116691334e-02 -6.116691334e-02 5.58 -5.828565802e-02 -5.828565802e-02 5.60 -5.552245137e-02 -5.552245137e-02 5.62 -5.286430767e-02 -5.286430767e-02 5.64 -5.030016438e-02 -5.030016438e-02 5.66 -4.782082457e-02 -4.782082457e-02 5.68 -4.541888836e-02 -4.541888836e-02 5.70 -4.308866585e-02 -4.308866585e-02 5.72 -4.082606732e-02 -4.082606732e-02 5.74 -3.862846396e-02 -3.862846396e-02 5.76 -3.649451425e-02 -3.649451425e-02 5.78 -3.442396003e-02 -3.442396003e-02 5.80 -3.241739632e-02 -3.241739632e-02 5.82 -3.047602433e-02 -3.047602433e-02 5.84 -2.860140101e-02 -2.860140101e-02 5.86 -2.679520013e-02 -2.679520013e-02 5.88 -2.505899568e-02 -2.505899568e-02 5.90 -2.339409178e-02 -2.339409178e-02 5.92 -2.180139854e-02 -2.180139854e-02 5.94 -2.028135949e-02 -2.028135949e-02 5.96 -1.883392903e-02 -1.883392903e-02 5.98 -1.745859317e-02 -1.745859317e-02 6.00 -1.615442292e-02 -1.615442292e-02