# 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 = AgCuMg2 # 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 2.581009539e+02 2.581009539e+02 1.30 2.386910253e+02 2.386910253e+02 1.32 2.207698005e+02 2.207698005e+02 1.34 2.042144729e+02 2.042144729e+02 1.36 1.889136756e+02 1.889136756e+02 1.38 1.747669206e+02 1.747669206e+02 1.40 1.616832201e+02 1.616832201e+02 1.42 1.495794843e+02 1.495794843e+02 1.44 1.383791194e+02 1.383791194e+02 1.46 1.280110580e+02 1.280110580e+02 1.48 1.184093908e+02 1.184093908e+02 1.50 1.095134952e+02 1.095134952e+02 1.52 1.012682235e+02 1.012682235e+02 1.54 9.362367961e+01 9.362367961e+01 1.56 8.653481162e+01 8.653481162e+01 1.58 7.996125703e+01 7.996125703e+01 1.60 7.386491494e+01 7.386491494e+01 1.62 6.821085007e+01 6.821085007e+01 1.64 6.296696640e+01 6.296696640e+01 1.66 5.810366406e+01 5.810366406e+01 1.68 5.359350564e+01 5.359350564e+01 1.70 4.941097736e+01 4.941097736e+01 1.72 4.553231229e+01 4.553231229e+01 1.74 4.193533620e+01 4.193533620e+01 1.76 3.859933982e+01 3.859933982e+01 1.78 3.550502451e+01 3.550502451e+01 1.80 3.263451441e+01 3.263451441e+01 1.82 2.997137704e+01 2.997137704e+01 1.84 2.750057332e+01 2.750057332e+01 1.86 2.520834086e+01 2.520834086e+01 1.88 2.308203056e+01 2.308203056e+01 1.90 2.110994396e+01 2.110994396e+01 1.92 1.928119472e+01 1.928119472e+01 1.94 1.758561338e+01 1.758561338e+01 1.96 1.601370115e+01 1.601370115e+01 1.98 1.455662499e+01 1.455662499e+01 2.00 1.320622177e+01 1.320622177e+01 2.02 1.195498201e+01 1.195498201e+01 2.04 1.079600500e+01 1.079600500e+01 2.06 9.722931243e+00 9.722931243e+00 2.08 8.729866100e+00 8.729866100e+00 2.10 7.811313306e+00 7.811313306e+00 2.12 6.962127034e+00 6.962127034e+00 2.14 6.177483387e+00 6.177483387e+00 2.16 5.452864879e+00 5.452864879e+00 2.18 4.784045342e+00 4.784045342e+00 2.20 4.167073431e+00 4.167073431e+00 2.22 3.598251009e+00 3.598251009e+00 2.24 3.074113912e+00 3.074113912e+00 2.26 2.591415789e+00 2.591415789e+00 2.28 2.147112725e+00 2.147112725e+00 2.30 1.738354617e+00 1.738354617e+00 2.32 1.362474828e+00 1.362474828e+00 2.34 1.016994025e+00 1.016994025e+00 2.36 6.996247922e-01 6.996247922e-01 2.38 4.082776376e-01 4.082776376e-01 2.40 1.410567763e-01 1.410567763e-01 2.42 -1.037579807e-01 -1.037579807e-01 2.44 -3.277372030e-01 -3.277372030e-01 2.46 -5.323310244e-01 -5.323310244e-01 2.48 -7.188924892e-01 -7.188924892e-01 2.50 -8.888760879e-01 -8.888760879e-01 2.52 -1.043469773e+00 -1.043469773e+00 2.54 -1.183556999e+00 -1.183556999e+00 2.56 -1.310011338e+00 -1.310011338e+00 2.58 -1.423691856e+00 -1.423691856e+00 2.60 -1.525438825e+00 -1.525438825e+00 2.62 -1.616069085e+00 -1.616069085e+00 2.64 -1.696373110e+00 -1.696373110e+00 2.66 -1.767155265e+00 -1.767155265e+00 2.68 -1.829251488e+00 -1.829251488e+00 2.70 -1.883283972e+00 -1.883283972e+00 2.72 -1.929834731e+00 -1.929834731e+00 2.74 -1.969460635e+00 -1.969460635e+00 2.76 -2.002687089e+00 -2.002687089e+00 2.78 -2.030001334e+00 -2.030001334e+00 2.80 -2.051848781e+00 -2.051848781e+00 2.82 -2.068630685e+00 -2.068630685e+00 2.84 -2.080713517e+00 -2.080713517e+00 2.86 -2.088432545e+00 -2.088432545e+00 2.88 -2.092094689e+00 -2.092094689e+00 2.90 -2.091986540e+00 -2.091986540e+00 2.92 -2.088381292e+00 -2.088381292e+00 2.94 -2.081543960e+00 -2.081543960e+00 2.96 -2.071734900e+00 -2.071734900e+00 2.98 -2.059211839e+00 -2.059211839e+00 3.00 -2.044230643e+00 -2.044230643e+00 3.02 -2.027044931e+00 -2.027044931e+00 3.04 -2.007904263e+00 -2.007904263e+00 3.06 -1.987053560e+00 -1.987053560e+00 3.08 -1.964759247e+00 -1.964759247e+00 3.10 -1.941225907e+00 -1.941225907e+00 3.12 -1.916620422e+00 -1.916620422e+00 3.14 -1.891096430e+00 -1.891096430e+00 3.16 -1.864789005e+00 -1.864789005e+00 3.18 -1.837815874e+00 -1.837815874e+00 3.20 -1.810278088e+00 -1.810278088e+00 3.22 -1.782262615e+00 -1.782262615e+00 3.24 -1.753838957e+00 -1.753838957e+00 3.26 -1.725027254e+00 -1.725027254e+00 3.28 -1.695834901e+00 -1.695834901e+00 3.30 -1.666279517e+00 -1.666279517e+00 3.32 -1.636387598e+00 -1.636387598e+00 3.34 -1.606192574e+00 -1.606192574e+00 3.36 -1.575732566e+00 -1.575732566e+00 3.38 -1.545048297e+00 -1.545048297e+00 3.40 -1.514181423e+00 -1.514181423e+00 3.42 -1.483173865e+00 -1.483173865e+00 3.44 -1.452066762e+00 -1.452066762e+00 3.46 -1.420900608e+00 -1.420900608e+00 3.48 -1.389714956e+00 -1.389714956e+00 3.50 -1.358548164e+00 -1.358548164e+00 3.52 -1.327437032e+00 -1.327437032e+00 3.54 -1.296416388e+00 -1.296416388e+00 3.56 -1.265518684e+00 -1.265518684e+00 3.58 -1.234773691e+00 -1.234773691e+00 3.60 -1.204208357e+00 -1.204208357e+00 3.62 -1.173846862e+00 -1.173846862e+00 3.64 -1.143710919e+00 -1.143710919e+00 3.66 -1.113820306e+00 -1.113820306e+00 3.68 -1.084193628e+00 -1.084193628e+00 3.70 -1.054849273e+00 -1.054849273e+00 3.72 -1.025806484e+00 -1.025806484e+00 3.74 -9.970864397e-01 -9.970864397e-01 3.76 -9.687132134e-01 -9.687132134e-01 3.78 -9.407144180e-01 -9.407144180e-01 3.80 -9.131213796e-01 -9.131213796e-01 3.82 -8.859686900e-01 -8.859686900e-01 3.84 -8.592930762e-01 -8.592930762e-01 3.86 -8.331316385e-01 -8.331316385e-01 3.88 -8.075196380e-01 -8.075196380e-01 3.90 -7.824881286e-01 -7.824881286e-01 3.92 -7.580615862e-01 -7.580615862e-01 3.94 -7.342570466e-01 -7.342570466e-01 3.96 -7.110819029e-01 -7.110819029e-01 3.98 -6.885346841e-01 -6.885346841e-01 4.00 -6.666054340e-01 -6.666054340e-01 4.02 -6.452768885e-01 -6.452768885e-01 4.04 -6.245259839e-01 -6.245259839e-01 4.06 -6.043254738e-01 -6.043254738e-01 4.08 -5.846454876e-01 -5.846454876e-01 4.10 -5.654543673e-01 -5.654543673e-01 4.12 -5.467221990e-01 -5.467221990e-01 4.14 -5.284180973e-01 -5.284180973e-01 4.16 -5.105136475e-01 -5.105136475e-01 4.18 -4.929829054e-01 -4.929829054e-01 4.20 -4.758030119e-01 -4.758030119e-01 4.22 -4.589547489e-01 -4.589547489e-01 4.24 -4.424230457e-01 -4.424230457e-01 4.26 -4.261974261e-01 -4.261974261e-01 4.28 -4.102723703e-01 -4.102723703e-01 4.30 -3.946475522e-01 -3.946475522e-01 4.32 -3.793279046e-01 -3.793279046e-01 4.34 -3.643234665e-01 -3.643234665e-01 4.36 -3.496489713e-01 -3.496489713e-01 4.38 -3.353231505e-01 -3.353231505e-01 4.40 -3.213677509e-01 -3.213677509e-01 4.42 -3.078062905e-01 -3.078062905e-01 4.44 -2.946626153e-01 -2.946626153e-01 4.46 -2.819593491e-01 -2.819593491e-01 4.48 -2.697163582e-01 -2.697163582e-01 4.50 -2.579493644e-01 -2.579493644e-01 4.52 -2.466688320e-01 -2.466688320e-01 4.54 -2.358792277e-01 -2.358792277e-01 4.56 -2.255787077e-01 -2.255787077e-01 4.58 -2.157592340e-01 -2.157592340e-01 4.60 -2.064070726e-01 -2.064070726e-01 4.62 -1.975035904e-01 -1.975035904e-01 4.64 -1.890262462e-01 -1.890262462e-01 4.66 -1.809496734e-01 -1.809496734e-01 4.68 -1.732467616e-01 -1.732467616e-01 4.70 -1.658896679e-01 -1.658896679e-01 4.72 -1.588507143e-01 -1.588507143e-01 4.74 -1.521031482e-01 -1.521031482e-01 4.76 -1.456217628e-01 -1.456217628e-01 4.78 -1.393833857e-01 -1.393833857e-01 4.80 -1.333668513e-01 -1.333668513e-01 4.82 -1.275549198e-01 -1.275549198e-01 4.84 -1.219318521e-01 -1.219318521e-01 4.86 -1.164853173e-01 -1.164853173e-01 4.88 -1.112059155e-01 -1.112059155e-01 4.90 -1.060870975e-01 -1.060870975e-01 4.92 -1.011249947e-01 -1.011249947e-01 4.94 -9.631815856e-02 -9.631815856e-02 4.96 -9.166720855e-02 -9.166720855e-02 4.98 -8.717439775e-02 -8.717439775e-02 5.00 -8.284311267e-02 -8.284311267e-02 5.02 -7.867733289e-02 -7.867733289e-02 5.04 -7.468108882e-02 -7.468108882e-02 5.06 -7.085792773e-02 -7.085792773e-02 5.08 -6.721046646e-02 -6.721046646e-02 5.10 -6.374003812e-02 -6.374003812e-02 5.12 -6.044645126e-02 -6.044645126e-02 5.14 -5.732787460e-02 -5.732787460e-02 5.16 -5.438084369e-02 -5.438084369e-02 5.18 -5.160037477e-02 -5.160037477e-02 5.20 -4.897950086e-02 -4.897950086e-02 5.22 -4.651064570e-02 -4.651064570e-02 5.24 -4.418613945e-02 -4.418613945e-02 5.26 -4.199768188e-02 -4.199768188e-02 5.28 -3.993666622e-02 -3.993666622e-02 5.30 -3.799446748e-02 -3.799446748e-02 5.32 -3.616268553e-02 -3.616268553e-02 5.34 -3.443333807e-02 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-1.086570776e-02 -1.086570776e-02 5.88 -1.042815678e-02 -1.042815678e-02 5.90 -1.000529851e-02 -1.000529851e-02 5.92 -9.595729096e-03 -9.595729096e-03 5.94 -9.198158294e-03 -9.198158294e-03 5.96 -8.811405834e-03 -8.811405834e-03 5.98 -8.434399015e-03 -8.434399015e-03 6.00 -8.066171770e-03 -8.066171770e-03