# 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 = Fe2MoPt # 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 2.770910088e+02 2.770910088e+02 1.30 2.553511915e+02 2.553511915e+02 1.32 2.352210298e+02 2.352210298e+02 1.34 2.166022625e+02 2.166022625e+02 1.36 1.994062304e+02 1.994062304e+02 1.38 1.835399898e+02 1.835399898e+02 1.40 1.689008169e+02 1.689008169e+02 1.42 1.553804546e+02 1.553804546e+02 1.44 1.428739227e+02 1.428739227e+02 1.46 1.312872285e+02 1.312872285e+02 1.48 1.205408070e+02 1.205408070e+02 1.50 1.105682437e+02 1.105682437e+02 1.52 1.013121018e+02 1.013121018e+02 1.54 9.271958826e+01 9.271958826e+01 1.56 8.473997114e+01 8.473997114e+01 1.58 7.732397169e+01 7.732397169e+01 1.60 7.042431187e+01 7.042431187e+01 1.62 6.399673979e+01 6.399673979e+01 1.64 5.800134030e+01 5.800134030e+01 1.66 5.240397117e+01 5.240397117e+01 1.68 4.717732185e+01 4.717732185e+01 1.70 4.230091887e+01 4.230091887e+01 1.72 3.776069169e+01 3.776069169e+01 1.74 3.357992710e+01 3.357992710e+01 1.76 2.979417676e+01 2.979417676e+01 1.78 2.637232599e+01 2.637232599e+01 1.80 2.328036398e+01 2.328036398e+01 1.82 2.048453041e+01 2.048453041e+01 1.84 1.795324765e+01 1.795324765e+01 1.86 1.565824729e+01 1.565824729e+01 1.88 1.357484518e+01 1.357484518e+01 1.90 1.168165970e+01 1.168165970e+01 1.92 9.960117600e+00 9.960117600e+00 1.94 8.393976179e+00 8.393976179e+00 1.96 6.968944676e+00 6.968944676e+00 1.98 5.672390421e+00 5.672390421e+00 2.00 4.493085835e+00 4.493085835e+00 2.02 3.420974005e+00 3.420974005e+00 2.04 2.446962206e+00 2.446962206e+00 2.06 1.562759762e+00 1.562759762e+00 2.08 7.607611058e-01 7.607611058e-01 2.10 3.396245539e-02 3.396245539e-02 2.12 -6.240965927e-01 -6.240965927e-01 2.14 -1.219366904e+00 -1.219366904e+00 2.16 -1.757299496e+00 -1.757299496e+00 2.18 -2.242840864e+00 -2.242840864e+00 2.20 -2.680431374e+00 -2.680431374e+00 2.22 -3.074021425e+00 -3.074021425e+00 2.24 -3.427109467e+00 -3.427109467e+00 2.26 -3.742796148e+00 -3.742796148e+00 2.28 -4.023845258e+00 -4.023845258e+00 2.30 -4.272743803e+00 -4.272743803e+00 2.32 -4.491757277e+00 -4.491757277e+00 2.34 -4.682978788e+00 -4.682978788e+00 2.36 -4.848371818e+00 -4.848371818e+00 2.38 -4.989805893e+00 -4.989805893e+00 2.40 -5.109042357e+00 -5.109042357e+00 2.42 -5.208119843e+00 -5.208119843e+00 2.44 -5.290168496e+00 -5.290168496e+00 2.46 -5.356648962e+00 -5.356648962e+00 2.48 -5.408865178e+00 -5.408865178e+00 2.50 -5.448106990e+00 -5.448106990e+00 2.52 -5.475632528e+00 -5.475632528e+00 2.54 -5.492645094e+00 -5.492645094e+00 2.56 -5.500186672e+00 -5.500186672e+00 2.58 -5.499012769e+00 -5.499012769e+00 2.60 -5.489762487e+00 -5.489762487e+00 2.62 -5.472964510e+00 -5.472964510e+00 2.64 -5.449029722e+00 -5.449029722e+00 2.66 -5.418264214e+00 -5.418264214e+00 2.68 -5.380893594e+00 -5.380893594e+00 2.70 -5.337089351e+00 -5.337089351e+00 2.72 -5.286991336e+00 -5.286991336e+00 2.74 -5.230725780e+00 -5.230725780e+00 2.76 -5.168419807e+00 -5.168419807e+00 2.78 -5.100191097e+00 -5.100191097e+00 2.80 -5.026169913e+00 -5.026169913e+00 2.82 -4.946509463e+00 -4.946509463e+00 2.84 -4.861396254e+00 -4.861396254e+00 2.86 -4.771063470e+00 -4.771063470e+00 2.88 -4.675806731e+00 -4.675806731e+00 2.90 -4.575998457e+00 -4.575998457e+00 2.92 -4.471992067e+00 -4.471992067e+00 2.94 -4.364099250e+00 -4.364099250e+00 2.96 -4.252770387e+00 -4.252770387e+00 2.98 -4.138577546e+00 -4.138577546e+00 3.00 -4.022169552e+00 -4.022169552e+00 3.02 -3.904542883e+00 -3.904542883e+00 3.04 -3.787078200e+00 -3.787078200e+00 3.06 -3.670838093e+00 -3.670838093e+00 3.08 -3.556511200e+00 -3.556511200e+00 3.10 -3.444462143e+00 -3.444462143e+00 3.12 -3.334804727e+00 -3.334804727e+00 3.14 -3.227481911e+00 -3.227481911e+00 3.16 -3.122339517e+00 -3.122339517e+00 3.18 -3.019186145e+00 -3.019186145e+00 3.20 -2.917836576e+00 -2.917836576e+00 3.22 -2.818139404e+00 -2.818139404e+00 3.24 -2.719991463e+00 -2.719991463e+00 3.26 -2.623342298e+00 -2.623342298e+00 3.28 -2.528191943e+00 -2.528191943e+00 3.30 -2.434584875e+00 -2.434584875e+00 3.32 -2.342602438e+00 -2.342602438e+00 3.34 -2.252355338e+00 -2.252355338e+00 3.36 -2.163977027e+00 -2.163977027e+00 3.38 -2.077618139e+00 -2.077618139e+00 3.40 -1.993441586e+00 -1.993441586e+00 3.42 -1.911617677e+00 -1.911617677e+00 3.44 -1.832318602e+00 -1.832318602e+00 3.46 -1.755711953e+00 -1.755711953e+00 3.48 -1.681953326e+00 -1.681953326e+00 3.50 -1.611178476e+00 -1.611178476e+00 3.52 -1.543495795e+00 -1.543495795e+00 3.54 -1.478979994e+00 -1.478979994e+00 3.56 -1.417667718e+00 -1.417667718e+00 3.58 -1.359555572e+00 -1.359555572e+00 3.60 -1.304600686e+00 -1.304600686e+00 3.62 -1.252723577e+00 -1.252723577e+00 3.64 -1.203812836e+00 -1.203812836e+00 3.66 -1.157731004e+00 -1.157731004e+00 3.68 -1.114321001e+00 -1.114321001e+00 3.70 -1.073412537e+00 -1.073412537e+00 3.72 -1.034827998e+00 -1.034827998e+00 3.74 -9.983877210e-01 -9.983877210e-01 3.76 -9.639147460e-01 -9.639147460e-01 3.78 -9.312357626e-01 -9.312357626e-01 3.80 -9.001851948e-01 -9.001851948e-01 3.82 -8.706068299e-01 -8.706068299e-01 3.84 -8.423544646e-01 -8.423544646e-01 3.86 -8.152921411e-01 -8.152921411e-01 3.88 -7.892940837e-01 -7.892940837e-01 3.90 -7.642444550e-01 -7.642444550e-01 3.92 -7.400370443e-01 -7.400370443e-01 3.94 -7.165749986e-01 -7.165749986e-01 3.96 -6.937706601e-01 -6.937706601e-01 3.98 -6.715456080e-01 -6.715456080e-01 4.00 -6.498309198e-01 -6.498309198e-01 4.02 -6.285676750e-01 -6.285676750e-01 4.04 -6.077076654e-01 -6.077076654e-01 4.06 -5.872142397e-01 -5.872142397e-01 4.08 -5.670631480e-01 -5.670631480e-01 4.10 -5.472432082e-01 -5.472432082e-01 4.12 -5.277565975e-01 -5.277565975e-01 4.14 -5.086184908e-01 -5.086184908e-01 4.16 -4.898559327e-01 -4.898559327e-01 4.18 -4.715057781e-01 -4.715057781e-01 4.20 -4.536117453e-01 -4.536117453e-01 4.22 -4.362207548e-01 -4.362207548e-01 4.24 -4.193788740e-01 -4.193788740e-01 4.26 -4.031272874e-01 -4.031272874e-01 4.28 -3.874987351e-01 -3.874987351e-01 4.30 -3.725147966e-01 -3.725147966e-01 4.32 -3.581842607e-01 -3.581842607e-01 4.34 -3.445026483e-01 -3.445026483e-01 4.36 -3.314527904e-01 -3.314527904e-01 4.38 -3.190062352e-01 -3.190062352e-01 4.40 -3.071251982e-01 -3.071251982e-01 4.42 -2.957647732e-01 -2.957647732e-01 4.44 -2.848751310e-01 -2.848751310e-01 4.46 -2.744035484e-01 -2.744035484e-01 4.48 -2.642961746e-01 -2.642961746e-01 4.50 -2.544994989e-01 -2.544994989e-01 4.52 -2.449614556e-01 -2.449614556e-01 4.54 -2.356321784e-01 -2.356321784e-01 4.56 -2.264654699e-01 -2.264654699e-01 4.58 -2.174188709e-01 -2.174188709e-01 4.60 -2.084542210e-01 -2.084542210e-01 4.62 -1.995383226e-01 -1.995383226e-01 4.64 -1.906436180e-01 -1.906436180e-01 4.66 -1.817488954e-01 -1.817488954e-01 4.68 -1.728400111e-01 -1.728400111e-01 4.70 -1.639105862e-01 -1.639105862e-01 4.72 -1.549626072e-01 -1.549626072e-01 4.74 -1.460068434e-01 -1.460068434e-01 4.76 -1.370629765e-01 -1.370629765e-01 4.78 -1.281593460e-01 -1.281593460e-01 4.80 -1.193322279e-01 -1.193322279e-01 4.82 -1.106246093e-01 -1.106246093e-01 4.84 -1.020844649e-01 -1.020844649e-01 4.86 -9.376261963e-02 -9.376261963e-02 4.88 -8.571032963e-02 -8.571032963e-02 4.90 -7.797677189e-02 -7.797677189e-02 4.92 -7.060665236e-02 -7.060665236e-02 4.94 -6.363813794e-02 -6.363813794e-02 4.96 -5.710127938e-02 -5.710127938e-02 4.98 -5.101703123e-02 -5.101703123e-02 5.00 -4.539690254e-02 -4.539690254e-02 5.02 -4.024320121e-02 -4.024320121e-02 5.04 -3.554977769e-02 -3.554977769e-02 5.06 -3.130313872e-02 -3.130313872e-02 5.08 -2.748378588e-02 -2.748378588e-02 5.10 -2.406763841e-02 -2.406763841e-02 5.12 -2.102743934e-02 -2.102743934e-02 5.14 -1.833404315e-02 -1.833404315e-02 5.16 -1.595742173e-02 -1.595742173e-02 5.18 -1.386713394e-02 -1.386713394e-02 5.20 -1.203472549e-02 -1.203472549e-02 5.22 -1.043309474e-02 -1.043309474e-02 5.24 -9.036682062e-03 -9.036682062e-03 5.26 -7.821773688e-03 -7.821773688e-03 5.28 -6.766658068e-03 -6.766658068e-03 5.30 -5.851671444e-03 -5.851671444e-03 5.32 -5.059163612e-03 -5.059163612e-03 5.34 -4.373409239e-03 -4.373409239e-03 5.36 -3.780484618e-03 -3.780484618e-03 5.38 -3.268125033e-03 -3.268125033e-03 5.40 -2.825573845e-03 -2.825573845e-03 5.42 -2.443431192e-03 -2.443431192e-03 5.44 -2.113507670e-03 -2.113507670e-03 5.46 -1.828686384e-03 -1.828686384e-03 5.48 -1.582795359e-03 -1.582795359e-03 5.50 -1.370491241e-03 -1.370491241e-03 5.52 -1.187154505e-03 -1.187154505e-03 5.54 -1.028795885e-03 -1.028795885e-03 5.56 -8.919734474e-04 -8.919734474e-04 5.58 -7.737195408e-04 -7.737195408e-04 5.60 -6.714767516e-04 -6.714767516e-04 5.62 -5.830419959e-04 -5.830419959e-04 5.64 -5.065178691e-04 -5.065178691e-04 5.66 -4.402704305e-04 -4.402704305e-04 5.68 -3.828926533e-04 -3.828926533e-04 5.70 -3.331728391e-04 -3.331728391e-04 5.72 -2.900673632e-04 -2.900673632e-04 5.74 -2.526771856e-04 -2.526771856e-04 5.76 -2.202276269e-04 -2.202276269e-04 5.78 -1.920509682e-04 -1.920509682e-04 5.80 -1.675714897e-04 -1.675714897e-04 5.82 -1.462926108e-04 -1.462926108e-04 5.84 -1.277858403e-04 -1.277858403e-04 5.86 -1.116812827e-04 -1.116812827e-04 5.88 -9.765948307e-05 -9.765948307e-05 5.90 -8.544442006e-05 -8.544442006e-05 5.92 -7.479748637e-05 -7.479748637e-05 5.94 -6.551231552e-05 -6.551231552e-05 5.96 -5.741033559e-05 -5.741033559e-05 5.98 -5.033694654e-05 -5.033694654e-05 6.00 -4.415823266e-05 -4.415823266e-05