# 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 = AgAl2Mo # 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 1.642662305e+02 1.642662305e+02 1.30 1.524773381e+02 1.524773381e+02 1.32 1.415459103e+02 1.415459103e+02 1.34 1.314039956e+02 1.314039956e+02 1.36 1.219892577e+02 1.219892577e+02 1.38 1.132451433e+02 1.132451433e+02 1.40 1.051201994e+02 1.051201994e+02 1.42 9.756678769e+01 9.756678769e+01 1.44 9.053988534e+01 9.053988534e+01 1.46 8.399665973e+01 8.399665973e+01 1.48 7.789721147e+01 7.789721147e+01 1.50 7.220598684e+01 7.220598684e+01 1.52 6.689261146e+01 6.689261146e+01 1.54 6.193140766e+01 6.193140766e+01 1.56 5.730005388e+01 5.730005388e+01 1.58 5.297825880e+01 5.297825880e+01 1.60 4.894685851e+01 4.894685851e+01 1.62 4.518728264e+01 4.518728264e+01 1.64 4.168217546e+01 4.168217546e+01 1.66 3.841533262e+01 3.841533262e+01 1.68 3.536973703e+01 3.536973703e+01 1.70 3.252954807e+01 3.252954807e+01 1.72 2.987998986e+01 2.987998986e+01 1.74 2.741053511e+01 2.741053511e+01 1.76 2.510905606e+01 2.510905606e+01 1.78 2.296422044e+01 2.296422044e+01 1.80 2.096574411e+01 2.096574411e+01 1.82 1.910429062e+01 1.910429062e+01 1.84 1.737139201e+01 1.737139201e+01 1.86 1.575932824e+01 1.575932824e+01 1.88 1.426095661e+01 1.426095661e+01 1.90 1.286951682e+01 1.286951682e+01 1.92 1.157844766e+01 1.157844766e+01 1.94 1.038125460e+01 1.038125460e+01 1.96 9.271464043e+00 9.271464043e+00 1.98 8.242679052e+00 8.242679052e+00 2.00 7.288713150e+00 7.288713150e+00 2.02 6.403744942e+00 6.403744942e+00 2.04 5.582424739e+00 5.582424739e+00 2.06 4.819889811e+00 4.819889811e+00 2.08 4.111697480e+00 4.111697480e+00 2.10 3.453728199e+00 3.453728199e+00 2.12 2.842114110e+00 2.842114110e+00 2.14 2.273219286e+00 2.273219286e+00 2.16 1.743664882e+00 1.743664882e+00 2.18 1.250374416e+00 1.250374416e+00 2.20 7.906129985e-01 7.906129985e-01 2.22 3.620025325e-01 3.620025325e-01 2.24 -3.749302163e-02 -3.749302163e-02 2.26 -4.096070224e-01 -4.096070224e-01 2.28 -7.558222889e-01 -7.558222889e-01 2.30 -1.077423788e+00 -1.077423788e+00 2.32 -1.375544410e+00 -1.375544410e+00 2.34 -1.651201426e+00 -1.651201426e+00 2.36 -1.905325695e+00 -1.905325695e+00 2.38 -2.138782585e+00 -2.138782585e+00 2.40 -2.352296784e+00 -2.352296784e+00 2.42 -2.546718005e+00 -2.546718005e+00 2.44 -2.722963593e+00 -2.722963593e+00 2.46 -2.881958760e+00 -2.881958760e+00 2.48 -3.024655086e+00 -3.024655086e+00 2.50 -3.152043059e+00 -3.152043059e+00 2.52 -3.265159734e+00 -3.265159734e+00 2.54 -3.365092980e+00 -3.365092980e+00 2.56 -3.452971469e+00 -3.452971469e+00 2.58 -3.529828593e+00 -3.529828593e+00 2.60 -3.596648669e+00 -3.596648669e+00 2.62 -3.654443323e+00 -3.654443323e+00 2.64 -3.704199828e+00 -3.704199828e+00 2.66 -3.746819076e+00 -3.746819076e+00 2.68 -3.783063046e+00 -3.783063046e+00 2.70 -3.813526375e+00 -3.813526375e+00 2.72 -3.838637338e+00 -3.838637338e+00 2.74 -3.858682830e+00 -3.858682830e+00 2.76 -3.873845901e+00 -3.873845901e+00 2.78 -3.884607902e+00 -3.884607902e+00 2.80 -3.892003196e+00 -3.892003196e+00 2.82 -3.895750390e+00 -3.895750390e+00 2.84 -3.895549286e+00 -3.895549286e+00 2.86 -3.891177736e+00 -3.891177736e+00 2.88 -3.882533369e+00 -3.882533369e+00 2.90 -3.869602735e+00 -3.869602735e+00 2.92 -3.852214720e+00 -3.852214720e+00 2.94 -3.830265471e+00 -3.830265471e+00 2.96 -3.803739377e+00 -3.803739377e+00 2.98 -3.772729171e+00 -3.772729171e+00 3.00 -3.737417220e+00 -3.737417220e+00 3.02 -3.698068259e+00 -3.698068259e+00 3.04 -3.655030114e+00 -3.655030114e+00 3.06 -3.608704286e+00 -3.608704286e+00 3.08 -3.559518647e+00 -3.559518647e+00 3.10 -3.507899780e+00 -3.507899780e+00 3.12 -3.454244946e+00 -3.454244946e+00 3.14 -3.398898791e+00 -3.398898791e+00 3.16 -3.342138496e+00 -3.342138496e+00 3.18 -3.284169350e+00 -3.284169350e+00 3.20 -3.225129767e+00 -3.225129767e+00 3.22 -3.165103336e+00 -3.165103336e+00 3.24 -3.104134804e+00 -3.104134804e+00 3.26 -3.042247162e+00 -3.042247162e+00 3.28 -2.979457858e+00 -2.979457858e+00 3.30 -2.915792969e+00 -2.915792969e+00 3.32 -2.851298760e+00 -2.851298760e+00 3.34 -2.786050424e+00 -2.786050424e+00 3.36 -2.720157866e+00 -2.720157866e+00 3.38 -2.653768400e+00 -2.653768400e+00 3.40 -2.587066255e+00 -2.587066255e+00 3.42 -2.520268896e+00 -2.520268896e+00 3.44 -2.453620292e+00 -2.453620292e+00 3.46 -2.387381691e+00 -2.387381691e+00 3.48 -2.321820628e+00 -2.321820628e+00 3.50 -2.257199200e+00 -2.257199200e+00 3.52 -2.193762724e+00 -2.193762724e+00 3.54 -2.131729837e+00 -2.131729837e+00 3.56 -2.071284843e+00 -2.071284843e+00 3.58 -2.012572807e+00 -2.012572807e+00 3.60 -1.955697500e+00 -1.955697500e+00 3.62 -1.900721973e+00 -1.900721973e+00 3.64 -1.847671290e+00 -1.847671290e+00 3.66 -1.796536813e+00 -1.796536813e+00 3.68 -1.747281424e+00 -1.747281424e+00 3.70 -1.699845101e+00 -1.699845101e+00 3.72 -1.654150407e+00 -1.654150407e+00 3.74 -1.610107564e+00 -1.610107564e+00 3.76 -1.567618924e+00 -1.567618924e+00 3.78 -1.526582737e+00 -1.526582737e+00 3.80 -1.486896206e+00 -1.486896206e+00 3.82 -1.448457877e+00 -1.448457877e+00 3.84 -1.411169411e+00 -1.411169411e+00 3.86 -1.374936828e+00 -1.374936828e+00 3.88 -1.339671298e+00 -1.339671298e+00 3.90 -1.305289548e+00 -1.305289548e+00 3.92 -1.271713960e+00 -1.271713960e+00 3.94 -1.238872474e+00 -1.238872474e+00 3.96 -1.206698243e+00 -1.206698243e+00 3.98 -1.175129297e+00 -1.175129297e+00 4.00 -1.144108137e+00 -1.144108137e+00 4.02 -1.113581416e+00 -1.113581416e+00 4.04 -1.083499759e+00 -1.083499759e+00 4.06 -1.053817792e+00 -1.053817792e+00 4.08 -1.024494446e+00 -1.024494446e+00 4.10 -9.954935425e-01 -9.954935425e-01 4.12 -9.667848096e-01 -9.667848096e-01 4.14 -9.383449713e-01 -9.383449713e-01 4.16 -9.101592849e-01 -9.101592849e-01 4.18 -8.822230524e-01 -8.822230524e-01 4.20 -8.545430638e-01 -8.545430638e-01 4.22 -8.271387118e-01 -8.271387118e-01 4.24 -8.000425179e-01 -8.000425179e-01 4.26 -7.732998155e-01 -7.732998155e-01 4.28 -7.469673986e-01 -7.469673986e-01 4.30 -7.211110517e-01 -7.211110517e-01 4.32 -6.958020364e-01 -6.958020364e-01 4.34 -6.711127770e-01 -6.711127770e-01 4.36 -6.471121440e-01 -6.471121440e-01 4.38 -6.238608248e-01 -6.238608248e-01 4.40 -6.014072803e-01 -6.014072803e-01 4.42 -5.797847005e-01 -5.797847005e-01 4.44 -5.590092186e-01 -5.590092186e-01 4.46 -5.390794506e-01 -5.390794506e-01 4.48 -5.199772496e-01 -5.199772496e-01 4.50 -5.016694268e-01 -5.016694268e-01 4.52 -4.841101217e-01 -4.841101217e-01 4.54 -4.672434962e-01 -4.672434962e-01 4.56 -4.510064716e-01 -4.510064716e-01 4.58 -4.353312985e-01 -4.353312985e-01 4.60 -4.201478339e-01 -4.201478339e-01 4.62 -4.053854727e-01 -4.053854727e-01 4.64 -3.909747436e-01 -3.909747436e-01 4.66 -3.768486173e-01 -3.768486173e-01 4.68 -3.629436011e-01 -3.629436011e-01 4.70 -3.492006980e-01 -3.492006980e-01 4.72 -3.355663077e-01 -3.355663077e-01 4.74 -3.219931278e-01 -3.219931278e-01 4.76 -3.084410963e-01 -3.084410963e-01 4.78 -2.948783890e-01 -2.948783890e-01 4.80 -2.812824423e-01 -2.812824423e-01 4.82 -2.676410233e-01 -2.676410233e-01 4.84 -2.539530895e-01 -2.539530895e-01 4.86 -2.402295709e-01 -2.402295709e-01 4.88 -2.264937604e-01 -2.264937604e-01 4.90 -2.127812628e-01 -2.127812628e-01 4.92 -1.991393705e-01 -1.991393705e-01 4.94 -1.856257893e-01 -1.856257893e-01 4.96 -1.723066831e-01 -1.723066831e-01 4.98 -1.592541072e-01 -1.592541072e-01 5.00 -1.465429495e-01 -1.465429495e-01 5.02 -1.342475829e-01 -1.342475829e-01 5.04 -1.224384820e-01 -1.224384820e-01 5.06 -1.111790761e-01 -1.111790761e-01 5.08 -1.005230263e-01 -1.005230263e-01 5.10 -9.051206113e-02 -9.051206113e-02 5.12 -8.117549167e-02 -8.117549167e-02 5.14 -7.252941739e-02 -7.252941739e-02 5.16 -6.457705214e-02 -6.457705214e-02 5.18 -5.730977769e-02 -5.730977769e-02 5.20 -5.070866882e-02 -5.070866882e-02 5.22 -4.474630912e-02 -4.474630912e-02 5.24 -3.938872929e-02 -3.938872929e-02 5.26 -3.459730477e-02 -3.459730477e-02 5.28 -3.033051851e-02 -3.033051851e-02 5.30 -2.654549987e-02 -2.654549987e-02 5.32 -2.319933035e-02 -2.319933035e-02 5.34 -2.025007353e-02 -2.025007353e-02 5.36 -1.765754344e-02 -1.765754344e-02 5.38 -1.538343871e-02 -1.538343871e-02 5.40 -1.339260010e-02 -1.339260010e-02 5.42 -1.165293636e-02 -1.165293636e-02 5.44 -1.013508518e-02 -1.013508518e-02 5.46 -8.812440530e-03 -8.812440530e-03 5.48 -7.661086486e-03 -7.661086486e-03 5.50 -6.659667938e-03 -6.659667938e-03 5.52 -5.789222098e-03 -5.789222098e-03 5.54 -5.032988580e-03 -5.032988580e-03 5.56 -4.376211124e-03 -4.376211124e-03 5.58 -3.805940185e-03 -3.805940185e-03 5.60 -3.310842584e-03 -3.310842584e-03 5.62 -2.881022206e-03 -2.881022206e-03 5.64 -2.507853987e-03 -2.507853987e-03 5.66 -2.183832284e-03 -2.183832284e-03 5.68 -1.902433831e-03 -1.902433831e-03 5.70 -1.657994930e-03 -1.657994930e-03 5.72 -1.445602156e-03 -1.445602156e-03 5.74 -1.260995636e-03 -1.260995636e-03 5.76 -1.100483842e-03 -1.100483842e-03 5.78 -9.608688269e-04 -9.608688269e-04 5.80 -8.393808182e-04 -8.393808182e-04 5.82 -7.336211589e-04 -7.336211589e-04 5.84 -6.415126267e-04 -6.415126267e-04 5.86 -5.612562614e-04 -5.612562614e-04 5.88 -4.912938993e-04 -4.912938993e-04 5.90 -4.302756988e-04 -4.302756988e-04 5.92 -3.770320192e-04 -3.770320192e-04 5.94 -3.305490868e-04 -3.305490868e-04 5.96 -2.899479499e-04 -2.899479499e-04 5.98 -2.544662872e-04 -2.544662872e-04 6.00 -2.234426855e-04 -2.234426855e-04