# 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 = MgTi2W # 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 3.912691650e+02 3.912691650e+02 1.30 3.620666575e+02 3.620666575e+02 1.32 3.350922766e+02 3.350922766e+02 1.34 3.101621930e+02 3.101621930e+02 1.36 2.871065968e+02 2.871065968e+02 1.38 2.657699080e+02 2.657699080e+02 1.40 2.460104339e+02 2.460104339e+02 1.42 2.276997452e+02 2.276997452e+02 1.44 2.107222443e+02 2.107222443e+02 1.46 1.949745312e+02 1.949745312e+02 1.48 1.803639146e+02 1.803639146e+02 1.50 1.668063921e+02 1.668063921e+02 1.52 1.542249702e+02 1.542249702e+02 1.54 1.425487482e+02 1.425487482e+02 1.56 1.317126130e+02 1.317126130e+02 1.58 1.216570426e+02 1.216570426e+02 1.60 1.123275908e+02 1.123275908e+02 1.62 1.036740773e+02 1.036740773e+02 1.64 9.564974355e+01 9.564974355e+01 1.66 8.821050696e+01 8.821050696e+01 1.68 8.131439802e+01 8.131439802e+01 1.70 7.492133647e+01 7.492133647e+01 1.72 6.899331290e+01 6.899331290e+01 1.74 6.349479440e+01 6.349479440e+01 1.76 5.839300497e+01 5.839300497e+01 1.78 5.365790558e+01 5.365790558e+01 1.80 4.926198889e+01 4.926198889e+01 1.82 4.518033871e+01 4.518033871e+01 1.84 4.139044955e+01 4.139044955e+01 1.86 3.787176904e+01 3.787176904e+01 1.88 3.460551619e+01 3.460551619e+01 1.90 3.157424929e+01 3.157424929e+01 1.92 2.876203012e+01 2.876203012e+01 1.94 2.615402234e+01 2.615402234e+01 1.96 2.373632976e+01 2.373632976e+01 1.98 2.149594634e+01 2.149594634e+01 2.00 1.942071933e+01 1.942071933e+01 2.02 1.749925874e+01 1.749925874e+01 2.04 1.572080641e+01 1.572080641e+01 2.06 1.407512680e+01 1.407512680e+01 2.08 1.255246623e+01 1.255246623e+01 2.10 1.114358048e+01 1.114358048e+01 2.12 9.839794692e+00 9.839794692e+00 2.14 8.633058307e+00 8.633058307e+00 2.16 7.515976471e+00 7.515976471e+00 2.18 6.481809374e+00 6.481809374e+00 2.20 5.524440144e+00 5.524440144e+00 2.22 4.638312130e+00 4.638312130e+00 2.24 3.818350846e+00 3.818350846e+00 2.26 3.059888499e+00 3.059888499e+00 2.28 2.358605708e+00 2.358605708e+00 2.30 1.710499891e+00 1.710499891e+00 2.32 1.111869226e+00 1.111869226e+00 2.34 5.593109295e-01 5.593109295e-01 2.36 4.971383932e-02 4.971383932e-02 2.38 -4.197598270e-01 -4.197598270e-01 2.40 -8.517087080e-01 -8.517087080e-01 2.42 -1.248536053e+00 -1.248536053e+00 2.44 -1.612482932e+00 -1.612482932e+00 2.46 -1.945601208e+00 -1.945601208e+00 2.48 -2.249955400e+00 -2.249955400e+00 2.50 -2.527533938e+00 -2.527533938e+00 2.52 -2.780212258e+00 -2.780212258e+00 2.54 -3.009750094e+00 -3.009750094e+00 2.56 -3.217787736e+00 -3.217787736e+00 2.58 -3.405844600e+00 -3.405844600e+00 2.60 -3.575322219e+00 -3.575322219e+00 2.62 -3.727483323e+00 -3.727483323e+00 2.64 -3.863325545e+00 -3.863325545e+00 2.66 -3.983734806e+00 -3.983734806e+00 2.68 -4.089569479e+00 -4.089569479e+00 2.70 -4.181661517e+00 -4.181661517e+00 2.72 -4.260816701e+00 -4.260816701e+00 2.74 -4.327841060e+00 -4.327841060e+00 2.76 -4.383567328e+00 -4.383567328e+00 2.78 -4.428622365e+00 -4.428622365e+00 2.80 -4.463604855e+00 -4.463604855e+00 2.82 -4.489102816e+00 -4.489102816e+00 2.84 -4.505692196e+00 -4.505692196e+00 2.86 -4.513936542e+00 -4.513936542e+00 2.88 -4.514388333e+00 -4.514388333e+00 2.90 -4.507586664e+00 -4.507586664e+00 2.92 -4.493942998e+00 -4.493942998e+00 2.94 -4.473756447e+00 -4.473756447e+00 2.96 -4.447365369e+00 -4.447365369e+00 2.98 -4.415149635e+00 -4.415149635e+00 3.00 -4.377522911e+00 -4.377522911e+00 3.02 -4.334921631e+00 -4.334921631e+00 3.04 -4.287789089e+00 -4.287789089e+00 3.06 -4.236556954e+00 -4.236556954e+00 3.08 -4.181622769e+00 -4.181622769e+00 3.10 -4.123334100e+00 -4.123334100e+00 3.12 -4.061978228e+00 -4.061978228e+00 3.14 -3.997782432e+00 -3.997782432e+00 3.16 -3.930919703e+00 -3.930919703e+00 3.18 -3.861521918e+00 -3.861521918e+00 3.20 -3.789693330e+00 -3.789693330e+00 3.22 -3.715523683e+00 -3.715523683e+00 3.24 -3.639099584e+00 -3.639099584e+00 3.26 -3.560513953e+00 -3.560513953e+00 3.28 -3.479873877e+00 -3.479873877e+00 3.30 -3.397307237e+00 -3.397307237e+00 3.32 -3.312968368e+00 -3.312968368e+00 3.34 -3.227042825e+00 -3.227042825e+00 3.36 -3.139766146e+00 -3.139766146e+00 3.38 -3.051394629e+00 -3.051394629e+00 3.40 -2.962208162e+00 -2.962208162e+00 3.42 -2.872529317e+00 -2.872529317e+00 3.44 -2.782718308e+00 -2.782718308e+00 3.46 -2.693166250e+00 -2.693166250e+00 3.48 -2.604285562e+00 -2.604285562e+00 3.50 -2.516498067e+00 -2.516498067e+00 3.52 -2.430220734e+00 -2.430220734e+00 3.54 -2.345839569e+00 -2.345839569e+00 3.56 -2.263692847e+00 -2.263692847e+00 3.58 -2.184073685e+00 -2.184073685e+00 3.60 -2.107218225e+00 -2.107218225e+00 3.62 -2.033296884e+00 -2.033296884e+00 3.64 -1.962410807e+00 -1.962410807e+00 3.66 -1.894593774e+00 -1.894593774e+00 3.68 -1.829818878e+00 -1.829818878e+00 3.70 -1.768008625e+00 -1.768008625e+00 3.72 -1.709046794e+00 -1.709046794e+00 3.74 -1.652790462e+00 -1.652790462e+00 3.76 -1.599081023e+00 -1.599081023e+00 3.78 -1.547753464e+00 -1.547753464e+00 3.80 -1.498643611e+00 -1.498643611e+00 3.82 -1.451593383e+00 -1.451593383e+00 3.84 -1.406454245e+00 -1.406454245e+00 3.86 -1.363089181e+00 -1.363089181e+00 3.88 -1.321373502e+00 -1.321373502e+00 3.90 -1.281194798e+00 -1.281194798e+00 3.92 -1.242452145e+00 -1.242452145e+00 3.94 -1.205055891e+00 -1.205055891e+00 3.96 -1.168925384e+00 -1.168925384e+00 3.98 -1.133988690e+00 -1.133988690e+00 4.00 -1.100181326e+00 -1.100181326e+00 4.02 -1.067445337e+00 -1.067445337e+00 4.04 -1.035728475e+00 -1.035728475e+00 4.06 -1.004983502e+00 -1.004983502e+00 4.08 -9.751675750e-01 -9.751675750e-01 4.10 -9.462412480e-01 -9.462412480e-01 4.12 -9.181699206e-01 -9.181699206e-01 4.14 -8.909203691e-01 -8.909203691e-01 4.16 -8.644625136e-01 -8.644625136e-01 4.18 -8.387685088e-01 -8.387685088e-01 4.20 -8.138124467e-01 -8.138124467e-01 4.22 -7.895700976e-01 -7.895700976e-01 4.24 -7.660186869e-01 -7.660186869e-01 4.26 -7.431367043e-01 -7.431367043e-01 4.28 -7.209037431e-01 -7.209037431e-01 4.30 -6.993003645e-01 -6.993003645e-01 4.32 -6.783079847e-01 -6.783079847e-01 4.34 -6.579087784e-01 -6.579087784e-01 4.36 -6.380855963e-01 -6.380855963e-01 4.38 -6.188218922e-01 -6.188218922e-01 4.40 -6.001016556e-01 -6.001016556e-01 4.42 -5.819093478e-01 -5.819093478e-01 4.44 -5.642298403e-01 -5.642298403e-01 4.46 -5.470483532e-01 -5.470483532e-01 4.48 -5.303503954e-01 -5.303503954e-01 4.50 -5.141217058e-01 -5.141217058e-01 4.52 -4.983481983e-01 -4.983481983e-01 4.54 -4.830159113e-01 -4.830159113e-01 4.56 -4.681109642e-01 -4.681109642e-01 4.58 -4.536195220e-01 -4.536195220e-01 4.60 -4.395277707e-01 -4.395277707e-01 4.62 -4.258219054e-01 -4.258219054e-01 4.64 -4.124881308e-01 -4.124881308e-01 4.66 -3.995126797e-01 -3.995126797e-01 4.68 -3.868818479e-01 -3.868818479e-01 4.70 -3.745820494e-01 -3.745820494e-01 4.72 -3.625998950e-01 -3.625998950e-01 4.74 -3.509222945e-01 -3.509222945e-01 4.76 -3.395365873e-01 -3.395365873e-01 4.78 -3.284307016e-01 -3.284307016e-01 4.80 -3.175930826e-01 -3.175930826e-01 4.82 -3.070139928e-01 -3.070139928e-01 4.84 -2.966840461e-01 -2.966840461e-01 4.86 -2.865956449e-01 -2.865956449e-01 4.88 -2.767429047e-01 -2.767429047e-01 4.90 -2.671218604e-01 -2.671218604e-01 4.92 -2.577306119e-01 -2.577306119e-01 4.94 -2.485693740e-01 -2.485693740e-01 4.96 -2.396404012e-01 -2.396404012e-01 4.98 -2.309477611e-01 -2.309477611e-01 5.00 -2.224969479e-01 -2.224969479e-01 5.02 -2.142943470e-01 -2.142943470e-01 5.04 -2.063465829e-01 -2.063465829e-01 5.06 -1.986598075e-01 -1.986598075e-01 5.08 -1.912389973e-01 -1.912389973e-01 5.10 -1.840873323e-01 -1.840873323e-01 5.12 -1.772057202e-01 -1.772057202e-01 5.14 -1.705925084e-01 -1.705925084e-01 5.16 -1.642434000e-01 -1.642434000e-01 5.18 -1.581515618e-01 -1.581515618e-01 5.20 -1.523078899e-01 -1.523078899e-01 5.22 -1.467013879e-01 -1.467013879e-01 5.24 -1.413196037e-01 -1.413196037e-01 5.26 -1.361490786e-01 -1.361490786e-01 5.28 -1.311757705e-01 -1.311757705e-01 5.30 -1.263854266e-01 -1.263854266e-01 5.32 -1.217638897e-01 -1.217638897e-01 5.34 -1.172973362e-01 -1.172973362e-01 5.36 -1.129724482e-01 -1.129724482e-01 5.38 -1.087765286e-01 -1.087765286e-01 5.40 -1.046975646e-01 -1.046975646e-01 5.42 -1.007242063e-01 -1.007242063e-01 5.44 -9.684590698e-02 -9.684590698e-02 5.46 -9.305287796e-02 -9.305287796e-02 5.48 -8.933606395e-02 -8.933606395e-02 5.50 -8.568715787e-02 -8.568715787e-02 5.52 -8.209863425e-02 -8.209863425e-02 5.54 -7.856380796e-02 -7.856380796e-02 5.56 -7.507692192e-02 -7.507692192e-02 5.58 -7.163326378e-02 -7.163326378e-02 5.60 -6.822930742e-02 -6.822930742e-02 5.62 -6.486287011e-02 -6.486287011e-02 5.64 -6.153327168e-02 -6.153327168e-02 5.66 -5.824147748e-02 -5.824147748e-02 5.68 -5.499020419e-02 -5.499020419e-02 5.70 -5.178396627e-02 -5.178396627e-02 5.72 -4.862904202e-02 -4.862904202e-02 5.74 -4.553334286e-02 -4.553334286e-02 5.76 -4.250617686e-02 -4.250617686e-02 5.78 -3.955791057e-02 -3.955791057e-02 5.80 -3.669952887e-02 -3.669952887e-02 5.82 -3.394213608e-02 -3.394213608e-02 5.84 -3.129642673e-02 -3.129642673e-02 5.86 -2.877216213e-02 -2.877216213e-02 5.88 -2.637769764e-02 -2.637769764e-02 5.90 -2.411959820e-02 -2.411959820e-02 5.92 -2.200212530e-02 -2.200212530e-02 5.94 -2.002698019e-02 -2.002698019e-02 5.96 -1.819469858e-02 -1.819469858e-02 5.98 -1.650366320e-02 -1.650366320e-02 6.00 -1.495024884e-02 -1.495024884e-02