# 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 = AgAl2Cu # 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 1.131182338e+02 1.131182338e+02 1.30 1.048712912e+02 1.048712912e+02 1.32 9.722558592e+01 9.722558592e+01 1.34 9.013446149e+01 9.013446149e+01 1.36 8.355453294e+01 8.355453294e+01 1.38 7.744658383e+01 7.744658383e+01 1.40 7.177527425e+01 7.177527425e+01 1.42 6.650792827e+01 6.650792827e+01 1.44 6.161314873e+01 6.161314873e+01 1.46 5.706017456e+01 5.706017456e+01 1.48 5.281966903e+01 5.281966903e+01 1.50 4.886546016e+01 4.886546016e+01 1.52 4.517567793e+01 4.517567793e+01 1.54 4.173229985e+01 4.173229985e+01 1.56 3.851969076e+01 3.851969076e+01 1.58 3.552428858e+01 3.552428858e+01 1.60 3.273270445e+01 3.273270445e+01 1.62 3.013414113e+01 3.013414113e+01 1.64 2.771603061e+01 2.771603061e+01 1.66 2.546516396e+01 2.546516396e+01 1.68 2.336894605e+01 2.336894605e+01 1.70 2.141571197e+01 2.141571197e+01 1.72 1.959502102e+01 1.959502102e+01 1.74 1.789766046e+01 1.789766046e+01 1.76 1.631536888e+01 1.631536888e+01 1.78 1.484052887e+01 1.484052887e+01 1.80 1.346602928e+01 1.346602928e+01 1.82 1.218529157e+01 1.218529157e+01 1.84 1.099232537e+01 1.099232537e+01 1.86 9.881703366e+00 9.881703366e+00 1.88 8.848437638e+00 8.848437638e+00 1.90 7.887802850e+00 7.887802850e+00 1.92 6.995166977e+00 6.995166977e+00 1.94 6.165886841e+00 6.165886841e+00 1.96 5.395308667e+00 5.395308667e+00 1.98 4.678878634e+00 4.678878634e+00 2.00 4.012322781e+00 4.012322781e+00 2.02 3.391822977e+00 3.391822977e+00 2.04 2.814113273e+00 2.814113273e+00 2.06 2.276456194e+00 2.276456194e+00 2.08 1.776517798e+00 1.776517798e+00 2.10 1.312204410e+00 1.312204410e+00 2.12 8.815248134e-01 8.815248134e-01 2.14 4.825105017e-01 4.825105017e-01 2.16 1.131944664e-01 1.131944664e-01 2.18 -2.283683929e-01 -2.283683929e-01 2.20 -5.440600909e-01 -5.440600909e-01 2.22 -8.356564175e-01 -8.356564175e-01 2.24 -1.104795194e+00 -1.104795194e+00 2.26 -1.352961973e+00 -1.352961973e+00 2.28 -1.581491877e+00 -1.581491877e+00 2.30 -1.791581166e+00 -1.791581166e+00 2.32 -1.984301007e+00 -1.984301007e+00 2.34 -2.160607887e+00 -2.160607887e+00 2.36 -2.321350984e+00 -2.321350984e+00 2.38 -2.467281062e+00 -2.467281062e+00 2.40 -2.599066835e+00 -2.599066835e+00 2.42 -2.717321143e+00 -2.717321143e+00 2.44 -2.822633993e+00 -2.822633993e+00 2.46 -2.915606182e+00 -2.915606182e+00 2.48 -2.996877157e+00 -2.996877157e+00 2.50 -3.067143604e+00 -3.067143604e+00 2.52 -3.127168940e+00 -3.127168940e+00 2.54 -3.177786178e+00 -3.177786178e+00 2.56 -3.219895868e+00 -3.219895868e+00 2.58 -3.254456955e+00 -3.254456955e+00 2.60 -3.282603311e+00 -3.282603311e+00 2.62 -3.306063515e+00 -3.306063515e+00 2.64 -3.326260164e+00 -3.326260164e+00 2.66 -3.343294527e+00 -3.343294527e+00 2.68 -3.357264754e+00 -3.357264754e+00 2.70 -3.368242906e+00 -3.368242906e+00 2.72 -3.376256959e+00 -3.376256959e+00 2.74 -3.381291268e+00 -3.381291268e+00 2.76 -3.383301426e+00 -3.383301426e+00 2.78 -3.382253022e+00 -3.382253022e+00 2.80 -3.378163855e+00 -3.378163855e+00 2.82 -3.370943686e+00 -3.370943686e+00 2.84 -3.360496698e+00 -3.360496698e+00 2.86 -3.346747021e+00 -3.346747021e+00 2.88 -3.329642548e+00 -3.329642548e+00 2.90 -3.309159392e+00 -3.309159392e+00 2.92 -3.285307274e+00 -3.285307274e+00 2.94 -3.258136187e+00 -3.258136187e+00 2.96 -3.227744287e+00 -3.227744287e+00 2.98 -3.194286475e+00 -3.194286475e+00 3.00 -3.157984036e+00 -3.157984036e+00 3.02 -3.119126898e+00 -3.119126898e+00 3.04 -3.078067098e+00 -3.078067098e+00 3.06 -3.035205766e+00 -3.035205766e+00 3.08 -2.990970837e+00 -2.990970837e+00 3.10 -2.945788473e+00 -2.945788473e+00 3.12 -2.900053146e+00 -2.900053146e+00 3.14 -2.854102380e+00 -2.854102380e+00 3.16 -2.808200459e+00 -2.808200459e+00 3.18 -2.762533152e+00 -2.762533152e+00 3.20 -2.717212206e+00 -2.717212206e+00 3.22 -2.672286725e+00 -2.672286725e+00 3.24 -2.627757937e+00 -2.627757937e+00 3.26 -2.583594347e+00 -2.583594347e+00 3.28 -2.539745339e+00 -2.539745339e+00 3.30 -2.496152285e+00 -2.496152285e+00 3.32 -2.452756989e+00 -2.452756989e+00 3.34 -2.409507689e+00 -2.409507689e+00 3.36 -2.366363020e+00 -2.366363020e+00 3.38 -2.323294293e+00 -2.323294293e+00 3.40 -2.280286450e+00 -2.280286450e+00 3.42 -2.237337950e+00 -2.237337950e+00 3.44 -2.194459763e+00 -2.194459763e+00 3.46 -2.151673749e+00 -2.151673749e+00 3.48 -2.109010565e+00 -2.109010565e+00 3.50 -2.066507314e+00 -2.066507314e+00 3.52 -2.024205117e+00 -2.024205117e+00 3.54 -1.982146798e+00 -1.982146798e+00 3.56 -1.940374784e+00 -1.940374784e+00 3.58 -1.898929362e+00 -1.898929362e+00 3.60 -1.857847325e+00 -1.857847325e+00 3.62 -1.817161056e+00 -1.817161056e+00 3.64 -1.776898045e+00 -1.776898045e+00 3.66 -1.737080813e+00 -1.737080813e+00 3.68 -1.697727207e+00 -1.697727207e+00 3.70 -1.658850997e+00 -1.658850997e+00 3.72 -1.620462699e+00 -1.620462699e+00 3.74 -1.582570516e+00 -1.582570516e+00 3.76 -1.545181259e+00 -1.545181259e+00 3.78 -1.508301114e+00 -1.508301114e+00 3.80 -1.471936118e+00 -1.471936118e+00 3.82 -1.436092224e+00 -1.436092224e+00 3.84 -1.400774920e+00 -1.400774920e+00 3.86 -1.365988428e+00 -1.365988428e+00 3.88 -1.331734616e+00 -1.331734616e+00 3.90 -1.298011800e+00 -1.298011800e+00 3.92 -1.264813656e+00 -1.264813656e+00 3.94 -1.232128458e+00 -1.232128458e+00 3.96 -1.199938682e+00 -1.199938682e+00 3.98 -1.168221141e+00 -1.168221141e+00 4.00 -1.136947532e+00 -1.136947532e+00 4.02 -1.106085345e+00 -1.106085345e+00 4.04 -1.075599045e+00 -1.075599045e+00 4.06 -1.045451450e+00 -1.045451450e+00 4.08 -1.015605267e+00 -1.015605267e+00 4.10 -9.860247428e-01 -9.860247428e-01 4.12 -9.566775405e-01 -9.566775405e-01 4.14 -9.275365587e-01 -9.275365587e-01 4.16 -8.985820432e-01 -8.985820432e-01 4.18 -8.698036146e-01 -8.698036146e-01 4.20 -8.412022018e-01 -8.412022018e-01 4.22 -8.127916697e-01 -8.127916697e-01 4.24 -7.845999112e-01 -7.845999112e-01 4.26 -7.566691646e-01 -7.566691646e-01 4.28 -7.290553556e-01 -7.290553556e-01 4.30 -7.018263449e-01 -7.018263449e-01 4.32 -6.750590940e-01 -6.750590940e-01 4.34 -6.488359116e-01 -6.488359116e-01 4.36 -6.232400807e-01 -6.232400807e-01 4.38 -5.983512669e-01 -5.983512669e-01 4.40 -5.742411376e-01 -5.742411376e-01 4.42 -5.509695799e-01 -5.509695799e-01 4.44 -5.285818072e-01 -5.285818072e-01 4.46 -5.071065096e-01 -5.071065096e-01 4.48 -4.865550761e-01 -4.865550761e-01 4.50 -4.669218056e-01 -4.669218056e-01 4.52 -4.481849527e-01 -4.481849527e-01 4.54 -4.303084168e-01 -4.303084168e-01 4.56 -4.132438735e-01 -4.132438735e-01 4.58 -3.969331612e-01 -3.969331612e-01 4.60 -3.813107561e-01 -3.813107561e-01 4.62 -3.663062068e-01 -3.663062068e-01 4.64 -3.518464316e-01 -3.518464316e-01 4.66 -3.378578221e-01 -3.378578221e-01 4.68 -3.242681296e-01 -3.242681296e-01 4.70 -3.110081418e-01 -3.110081418e-01 4.72 -2.980131746e-01 -2.980131746e-01 4.74 -2.852244170e-01 -2.852244170e-01 4.76 -2.725901631e-01 -2.725901631e-01 4.78 -2.600669563e-01 -2.600669563e-01 4.80 -2.476206398e-01 -2.476206398e-01 4.82 -2.352273643e-01 -2.352273643e-01 4.84 -2.228743213e-01 -2.228743213e-01 4.86 -2.105603860e-01 -2.105603860e-01 4.88 -1.982963742e-01 -1.982963742e-01 4.90 -1.861048987e-01 -1.861048987e-01 4.92 -1.740197233e-01 -1.740197233e-01 4.94 -1.620845521e-01 -1.620845521e-01 4.96 -1.503512382e-01 -1.503512382e-01 4.98 -1.388774592e-01 -1.388774592e-01 5.00 -1.277239861e-01 -1.277239861e-01 5.02 -1.169517068e-01 -1.169517068e-01 5.04 -1.066186269e-01 -1.066186269e-01 5.06 -9.677708099e-02 -9.677708099e-02 5.08 -8.747135403e-02 -8.747135403e-02 5.10 -7.873562671e-02 -7.873562671e-02 5.12 -7.059360433e-02 -7.059360433e-02 5.14 -6.305788988e-02 -6.305788988e-02 5.16 -5.613011227e-02 -5.613011227e-02 5.18 -4.980181150e-02 -4.980181150e-02 5.20 -4.405573666e-02 -4.405573666e-02 5.22 -3.886739885e-02 -3.886739885e-02 5.24 -3.420672885e-02 -3.420672885e-02 5.26 -3.003971222e-02 -3.003971222e-02 5.28 -2.632990522e-02 -2.632990522e-02 5.30 -2.303976272e-02 -2.303976272e-02 5.32 -2.013175251e-02 -2.013175251e-02 5.34 -1.756923992e-02 -1.756923992e-02 5.36 -1.531714845e-02 -1.531714845e-02 5.38 -1.334207647e-02 -1.334207647e-02 5.40 -1.161336985e-02 -1.161336985e-02 5.42 -1.010305821e-02 -1.010305821e-02 5.44 -8.785563288e-03 -8.785563288e-03 5.46 -7.637718050e-03 -7.637718050e-03 5.48 -6.638705554e-03 -6.638705554e-03 5.50 -5.769943830e-03 -5.769943830e-03 5.52 -5.014937267e-03 -5.014937267e-03 5.54 -4.359109872e-03 -4.359109872e-03 5.56 -3.789631634e-03 -3.789631634e-03 5.58 -3.295245915e-03 -3.295245915e-03 5.60 -2.866103218e-03 -2.866103218e-03 5.62 -2.493604706e-03 -2.493604706e-03 5.64 -2.170257433e-03 -2.170257433e-03 5.66 -1.889542174e-03 -1.889542174e-03 5.68 -1.645794017e-03 -1.645794017e-03 5.70 -1.434095408e-03 -1.434095408e-03 5.72 -1.250180980e-03 -1.250180980e-03 5.74 -1.090353366e-03 -1.090353366e-03 5.76 -9.514090512e-04 -9.514090512e-04 5.78 -8.305733277e-04 -8.305733277e-04 5.80 -7.254434023e-04 -7.254434023e-04 5.82 -6.339387761e-04 -6.339387761e-04 5.84 -5.542580508e-04 -5.542580508e-04 5.86 -4.848413993e-04 -4.848413993e-04 5.88 -4.243380048e-04 -4.243380048e-04 5.90 -3.715778417e-04 -3.715778417e-04 5.92 -3.255472451e-04 -3.255472451e-04 5.94 -2.853677732e-04 -2.853677732e-04 5.96 -2.502779306e-04 -2.502779306e-04 5.98 -2.196173718e-04 -2.196173718e-04 6.00 -1.928132517e-04 -1.928132517e-04