# 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 = MoTiW2 # 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 3.852905919e+02 3.852905919e+02 1.30 3.559133991e+02 3.559133991e+02 1.32 3.288277419e+02 3.288277419e+02 1.34 3.038293921e+02 3.038293921e+02 1.36 2.807271491e+02 2.807271491e+02 1.38 2.593456583e+02 2.593456583e+02 1.40 2.395287000e+02 2.395287000e+02 1.42 2.211408013e+02 2.211408013e+02 1.44 2.040663055e+02 2.040663055e+02 1.46 1.882063375e+02 1.882063375e+02 1.48 1.734748633e+02 1.734748633e+02 1.50 1.597952222e+02 1.597952222e+02 1.52 1.470979098e+02 1.470979098e+02 1.54 1.353194754e+02 1.353194754e+02 1.56 1.244019015e+02 1.244019015e+02 1.58 1.142918609e+02 1.142918609e+02 1.60 1.049396130e+02 1.049396130e+02 1.62 9.629773482e+01 9.629773482e+01 1.64 8.832002691e+01 8.832002691e+01 1.66 8.096081291e+01 8.096081291e+01 1.68 7.417470192e+01 7.417470192e+01 1.70 6.791681100e+01 6.791681100e+01 1.72 6.214335080e+01 6.214335080e+01 1.74 5.681236855e+01 5.681236855e+01 1.76 5.188441694e+01 5.188441694e+01 1.78 4.732304571e+01 4.732304571e+01 1.80 4.309516937e+01 4.309516937e+01 1.82 3.917137754e+01 3.917137754e+01 1.84 3.552613860e+01 3.552613860e+01 1.86 3.213776723e+01 3.213776723e+01 1.88 2.898806131e+01 2.898806131e+01 1.90 2.606166349e+01 2.606166349e+01 1.92 2.334614900e+01 2.334614900e+01 1.94 2.082985978e+01 2.082985978e+01 1.96 1.850312004e+01 1.850312004e+01 1.98 1.635562901e+01 1.635562901e+01 2.00 1.437616488e+01 1.437616488e+01 2.02 1.255362218e+01 1.255362218e+01 2.04 1.087695836e+01 1.087695836e+01 2.06 9.335188347e+00 9.335188347e+00 2.08 7.917444952e+00 7.917444952e+00 2.10 6.613110932e+00 6.613110932e+00 2.12 5.412006843e+00 5.412006843e+00 2.14 4.304601881e+00 4.304601881e+00 2.16 3.282207015e+00 3.282207015e+00 2.18 2.337109142e+00 2.337109142e+00 2.20 1.462616696e+00 1.462616696e+00 2.22 6.530096413e-01 6.530096413e-01 2.24 -9.658591763e-02 -9.658591763e-02 2.26 -7.903610560e-01 -7.903610560e-01 2.28 -1.431986700e+00 -1.431986700e+00 2.30 -2.024748732e+00 -2.024748732e+00 2.32 -2.571646550e+00 -2.571646550e+00 2.34 -3.075456541e+00 -3.075456541e+00 2.36 -3.538771534e+00 -3.538771534e+00 2.38 -3.964026229e+00 -3.964026229e+00 2.40 -4.353516404e+00 -4.353516404e+00 2.42 -4.709413867e+00 -4.709413867e+00 2.44 -5.033775817e+00 -5.033775817e+00 2.46 -5.328547881e+00 -5.328547881e+00 2.48 -5.595561568e+00 -5.595561568e+00 2.50 -5.836528379e+00 -5.836528379e+00 2.52 -6.053033127e+00 -6.053033127e+00 2.54 -6.246528855e+00 -6.246528855e+00 2.56 -6.418335627e+00 -6.418335627e+00 2.58 -6.569565941e+00 -6.569565941e+00 2.60 -6.701220010e+00 -6.701220010e+00 2.62 -6.814420360e+00 -6.814420360e+00 2.64 -6.910196868e+00 -6.910196868e+00 2.66 -6.989506493e+00 -6.989506493e+00 2.68 -7.053258168e+00 -7.053258168e+00 2.70 -7.102333363e+00 -7.102333363e+00 2.72 -7.137600975e+00 -7.137600975e+00 2.74 -7.159875883e+00 -7.159875883e+00 2.76 -7.169517563e+00 -7.169517563e+00 2.78 -7.166692438e+00 -7.166692438e+00 2.80 -7.151540877e+00 -7.151540877e+00 2.82 -7.124444211e+00 -7.124444211e+00 2.84 -7.085885555e+00 -7.085885555e+00 2.86 -7.036382913e+00 -7.036382913e+00 2.88 -6.976544603e+00 -6.976544603e+00 2.90 -6.906902933e+00 -6.906902933e+00 2.92 -6.828011687e+00 -6.828011687e+00 2.94 -6.740495602e+00 -6.740495602e+00 2.96 -6.645015378e+00 -6.645015378e+00 2.98 -6.542143227e+00 -6.542143227e+00 3.00 -6.432487651e+00 -6.432487651e+00 3.02 -6.316576439e+00 -6.316576439e+00 3.04 -6.194911571e+00 -6.194911571e+00 3.06 -6.068041351e+00 -6.068041351e+00 3.08 -5.936509387e+00 -5.936509387e+00 3.10 -5.800807275e+00 -5.800807275e+00 3.12 -5.661339381e+00 -5.661339381e+00 3.14 -5.518404424e+00 -5.518404424e+00 3.16 -5.372193285e+00 -5.372193285e+00 3.18 -5.222801622e+00 -5.222801622e+00 3.20 -5.070252192e+00 -5.070252192e+00 3.22 -4.914523195e+00 -4.914523195e+00 3.24 -4.755579333e+00 -4.755579333e+00 3.26 -4.593403454e+00 -4.593403454e+00 3.28 -4.428027385e+00 -4.428027385e+00 3.30 -4.259560957e+00 -4.259560957e+00 3.32 -4.088218154e+00 -4.088218154e+00 3.34 -3.914339021e+00 -3.914339021e+00 3.36 -3.738405636e+00 -3.738405636e+00 3.38 -3.561050201e+00 -3.561050201e+00 3.40 -3.383053418e+00 -3.383053418e+00 3.42 -3.205331857e+00 -3.205331857e+00 3.44 -3.028913679e+00 -3.028913679e+00 3.46 -2.854903786e+00 -2.854903786e+00 3.48 -2.684440320e+00 -2.684440320e+00 3.50 -2.518645946e+00 -2.518645946e+00 3.52 -2.358578057e+00 -2.358578057e+00 3.54 -2.205182290e+00 -2.205182290e+00 3.56 -2.059253405e+00 -2.059253405e+00 3.58 -1.921406708e+00 -1.921406708e+00 3.60 -1.792062016e+00 -1.792062016e+00 3.62 -1.671440717e+00 -1.671440717e+00 3.64 -1.559575094e+00 -1.559575094e+00 3.66 -1.456327800e+00 -1.456327800e+00 3.68 -1.361418519e+00 -1.361418519e+00 3.70 -1.274454498e+00 -1.274454498e+00 3.72 -1.194961800e+00 -1.194961800e+00 3.74 -1.122414729e+00 -1.122414729e+00 3.76 -1.056261690e+00 -1.056261690e+00 3.78 -9.959465242e-01 -9.959465242e-01 3.80 -9.409251109e-01 -9.409251109e-01 3.82 -8.906774465e-01 -8.906774465e-01 3.84 -8.447157637e-01 -8.447157637e-01 3.86 -8.025893599e-01 -8.025893599e-01 3.88 -7.638868321e-01 -7.638868321e-01 3.90 -7.282363666e-01 -7.282363666e-01 3.92 -6.953046090e-01 -6.953046090e-01 3.94 -6.647947621e-01 -6.647947621e-01 3.96 -6.364437908e-01 -6.364437908e-01 3.98 -6.100196695e-01 -6.100196695e-01 4.00 -5.853183568e-01 -5.853183568e-01 4.02 -5.621608488e-01 -5.621608488e-01 4.04 -5.403903644e-01 -5.403903644e-01 4.06 -5.198697231e-01 -5.198697231e-01 4.08 -5.004789425e-01 -5.004789425e-01 4.10 -4.821128895e-01 -4.821128895e-01 4.12 -4.646796803e-01 -4.646796803e-01 4.14 -4.480989156e-01 -4.480989156e-01 4.16 -4.323000586e-01 -4.323000586e-01 4.18 -4.172210115e-01 -4.172210115e-01 4.20 -4.028070002e-01 -4.028070002e-01 4.22 -3.890095921e-01 -3.890095921e-01 4.24 -3.757858397e-01 -3.757858397e-01 4.26 -3.630975349e-01 -3.630975349e-01 4.28 -3.509105647e-01 -3.509105647e-01 4.30 -3.391943539e-01 -3.391943539e-01 4.32 -3.279213852e-01 -3.279213852e-01 4.34 -3.170667850e-01 -3.170667850e-01 4.36 -3.066079671e-01 -3.066079671e-01 4.38 -2.965243260e-01 -2.965243260e-01 4.40 -2.867969720e-01 -2.867969720e-01 4.42 -2.774085028e-01 -2.774085028e-01 4.44 -2.683428061e-01 -2.683428061e-01 4.46 -2.595848889e-01 -2.595848889e-01 4.48 -2.511207292e-01 -2.511207292e-01 4.50 -2.429371473e-01 -2.429371473e-01 4.52 -2.350216940e-01 -2.350216940e-01 4.54 -2.273625535e-01 -2.273625535e-01 4.56 -2.199484589e-01 -2.199484589e-01 4.58 -2.127686201e-01 -2.127686201e-01 4.60 -2.058126618e-01 -2.058126618e-01 4.62 -1.990705725e-01 -1.990705725e-01 4.64 -1.925326648e-01 -1.925326648e-01 4.66 -1.861895454e-01 -1.861895454e-01 4.68 -1.800320991e-01 -1.800320991e-01 4.70 -1.740514849e-01 -1.740514849e-01 4.72 -1.682391486e-01 -1.682391486e-01 4.74 -1.625868518e-01 -1.625868518e-01 4.76 -1.570867200e-01 -1.570867200e-01 4.78 -1.517313119e-01 -1.517313119e-01 4.80 -1.465136654e-01 -1.465136654e-01 4.82 -1.414275835e-01 -1.414275835e-01 4.84 -1.364674836e-01 -1.364674836e-01 4.86 -1.316287233e-01 -1.316287233e-01 4.88 -1.269076820e-01 -1.269076820e-01 4.90 -1.223018775e-01 -1.223018775e-01 4.92 -1.178100487e-01 -1.178100487e-01 4.94 -1.134321859e-01 -1.134321859e-01 4.96 -1.091694858e-01 -1.091694858e-01 4.98 -1.050242250e-01 -1.050242250e-01 5.00 -1.009995408e-01 -1.009995408e-01 5.02 -9.709912597e-02 -9.709912597e-02 5.04 -9.332685584e-02 -9.332685584e-02 5.06 -8.968638168e-02 -8.968638168e-02 5.08 -8.618067088e-02 -8.618067088e-02 5.10 -8.281162706e-02 -8.281162706e-02 5.12 -7.958013429e-02 -7.958013429e-02 5.14 -7.648563792e-02 -7.648563792e-02 5.16 -7.352607504e-02 -7.352607504e-02 5.18 -7.069793638e-02 -7.069793638e-02 5.20 -6.799641832e-02 -6.799641832e-02 5.22 -6.541563698e-02 -6.541563698e-02 5.24 -6.294887467e-02 -6.294887467e-02 5.26 -6.058883131e-02 -6.058883131e-02 5.28 -5.832785963e-02 -5.832785963e-02 5.30 -5.615817012e-02 -5.615817012e-02 5.32 -5.407199850e-02 -5.407199850e-02 5.34 -5.206173452e-02 -5.206173452e-02 5.36 -5.012001505e-02 -5.012001505e-02 5.38 -4.823978716e-02 -4.823978716e-02 5.40 -4.641434815e-02 -4.641434815e-02 5.42 -4.463736990e-02 -4.463736990e-02 5.44 -4.290291446e-02 -4.290291446e-02 5.46 -4.120544721e-02 -4.120544721e-02 5.48 -3.953985254e-02 -3.953985254e-02 5.50 -3.790145658e-02 -3.790145658e-02 5.52 -3.628605962e-02 -3.628605962e-02 5.54 -3.468998024e-02 -3.468998024e-02 5.56 -3.311011100e-02 -3.311011100e-02 5.58 -3.154398505e-02 -3.154398505e-02 5.60 -2.998985054e-02 -2.998985054e-02 5.62 -2.844674781e-02 -2.844674781e-02 5.64 -2.691458290e-02 -2.691458290e-02 5.66 -2.539418869e-02 -2.539418869e-02 5.68 -2.388736413e-02 -2.388736413e-02 5.70 -2.239688121e-02 -2.239688121e-02 5.72 -2.092645015e-02 -2.092645015e-02 5.74 -1.948063539e-02 -1.948063539e-02 5.76 -1.806471603e-02 -1.806471603e-02 5.78 -1.668436246e-02 -1.668436246e-02 5.80 -1.534565245e-02 -1.534565245e-02 5.82 -1.405478889e-02 -1.405478889e-02 5.84 -1.281771797e-02 -1.281771797e-02 5.86 -1.163985661e-02 -1.163985661e-02 5.88 -1.052584899e-02 -1.052584899e-02 5.90 -9.479371026e-03 -9.479371026e-03 5.92 -8.502996411e-03 -8.502996411e-03 5.94 -7.598131176e-03 -7.598131176e-03 5.96 -6.765016476e-03 -6.765016476e-03 5.98 -6.002792771e-03 -6.002792771e-03 6.00 -5.309613666e-03 -5.309613666e-03