# 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 = CuMoW2 # 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 3.200115415e+02 3.200115415e+02 1.30 2.949873890e+02 2.949873890e+02 1.32 2.719613668e+02 2.719613668e+02 1.34 2.507506053e+02 2.507506053e+02 1.36 2.311806823e+02 2.311806823e+02 1.38 2.130903447e+02 2.130903447e+02 1.40 1.963370079e+02 1.963370079e+02 1.42 1.807998545e+02 1.807998545e+02 1.44 1.663788451e+02 1.663788451e+02 1.46 1.529905184e+02 1.529905184e+02 1.48 1.405629724e+02 1.405629724e+02 1.50 1.290320771e+02 1.290320771e+02 1.52 1.183395378e+02 1.183395378e+02 1.54 1.084321501e+02 1.084321501e+02 1.56 9.926129191e+01 9.926129191e+01 1.58 9.078219481e+01 9.078219481e+01 1.60 8.295305154e+01 8.295305154e+01 1.62 7.573411971e+01 7.573411971e+01 1.64 6.908690125e+01 6.908690125e+01 1.66 6.297347027e+01 6.297347027e+01 1.68 5.735604428e+01 5.735604428e+01 1.70 5.219684196e+01 5.219684196e+01 1.72 4.745819968e+01 4.745819968e+01 1.74 4.310290701e+01 4.310290701e+01 1.76 3.909474810e+01 3.909474810e+01 1.78 3.539923898e+01 3.539923898e+01 1.80 3.198450325e+01 3.198450325e+01 1.82 2.882214317e+01 2.882214317e+01 1.84 2.588832337e+01 2.588832337e+01 1.86 2.316426876e+01 2.316426876e+01 1.88 2.063411676e+01 2.063411676e+01 1.90 1.828714604e+01 1.828714604e+01 1.92 1.611385902e+01 1.611385902e+01 1.94 1.410497877e+01 1.410497877e+01 1.96 1.225198758e+01 1.225198758e+01 1.98 1.054657458e+01 1.054657458e+01 2.00 8.980352001e+00 8.980352001e+00 2.02 7.544729823e+00 7.544729823e+00 2.04 6.230881689e+00 6.230881689e+00 2.06 5.029771290e+00 5.029771290e+00 2.08 3.932235242e+00 3.932235242e+00 2.10 2.929129030e+00 2.929129030e+00 2.12 2.011533842e+00 2.011533842e+00 2.14 1.171000461e+00 1.171000461e+00 2.16 3.997854038e-01 3.997854038e-01 2.18 -3.089721437e-01 -3.089721437e-01 2.20 -9.611701450e-01 -9.611701450e-01 2.22 -1.561769703e+00 -1.561769703e+00 2.24 -2.114908014e+00 -2.114908014e+00 2.26 -2.624061821e+00 -2.624061821e+00 2.28 -3.092221954e+00 -3.092221954e+00 2.30 -3.522046586e+00 -3.522046586e+00 2.32 -3.915972672e+00 -3.915972672e+00 2.34 -4.276279137e+00 -4.276279137e+00 2.36 -4.605109594e+00 -4.605109594e+00 2.38 -4.904472096e+00 -4.904472096e+00 2.40 -5.176234315e+00 -5.176234315e+00 2.42 -5.422125093e+00 -5.422125093e+00 2.44 -5.643743689e+00 -5.643743689e+00 2.46 -5.842534138e+00 -5.842534138e+00 2.48 -6.019735737e+00 -6.019735737e+00 2.50 -6.176757909e+00 -6.176757909e+00 2.52 -6.314921847e+00 -6.314921847e+00 2.54 -6.435427452e+00 -6.435427452e+00 2.56 -6.539360259e+00 -6.539360259e+00 2.58 -6.627700351e+00 -6.627700351e+00 2.60 -6.701334667e+00 -6.701334667e+00 2.62 -6.761062087e+00 -6.761062087e+00 2.64 -6.807314754e+00 -6.807314754e+00 2.66 -6.840194734e+00 -6.840194734e+00 2.68 -6.859866264e+00 -6.859866264e+00 2.70 -6.866565815e+00 -6.866565815e+00 2.72 -6.860489970e+00 -6.860489970e+00 2.74 -6.842039793e+00 -6.842039793e+00 2.76 -6.811718835e+00 -6.811718835e+00 2.78 -6.770037330e+00 -6.770037330e+00 2.80 -6.717505936e+00 -6.717505936e+00 2.82 -6.654636647e+00 -6.654636647e+00 2.84 -6.581951347e+00 -6.581951347e+00 2.86 -6.499996603e+00 -6.499996603e+00 2.88 -6.409348031e+00 -6.409348031e+00 2.90 -6.310506965e+00 -6.310506965e+00 2.92 -6.204000708e+00 -6.204000708e+00 2.94 -6.090731550e+00 -6.090731550e+00 2.96 -5.971324650e+00 -5.971324650e+00 2.98 -5.846231749e+00 -5.846231749e+00 3.00 -5.716028875e+00 -5.716028875e+00 3.02 -5.581369989e+00 -5.581369989e+00 3.04 -5.442934863e+00 -5.442934863e+00 3.06 -5.301381594e+00 -5.301381594e+00 3.08 -5.157338966e+00 -5.157338966e+00 3.10 -5.011335952e+00 -5.011335952e+00 3.12 -4.863752939e+00 -4.863752939e+00 3.14 -4.714817459e+00 -4.714817459e+00 3.16 -4.564614750e+00 -4.564614750e+00 3.18 -4.413110201e+00 -4.413110201e+00 3.20 -4.260180394e+00 -4.260180394e+00 3.22 -4.105649484e+00 -4.105649484e+00 3.24 -3.949328096e+00 -3.949328096e+00 3.26 -3.791052489e+00 -3.791052489e+00 3.28 -3.630722192e+00 -3.630722192e+00 3.30 -3.468334492e+00 -3.468334492e+00 3.32 -3.304014151e+00 -3.304014151e+00 3.34 -3.138036513e+00 -3.138036513e+00 3.36 -2.970842072e+00 -2.970842072e+00 3.38 -2.803040604e+00 -2.803040604e+00 3.40 -2.635403343e+00 -2.635403343e+00 3.42 -2.468842483e+00 -2.468842483e+00 3.44 -2.304378431e+00 -2.304378431e+00 3.46 -2.143096603e+00 -2.143096603e+00 3.48 -1.986096960e+00 -1.986096960e+00 3.50 -1.834440582e+00 -1.834440582e+00 3.52 -1.689098142e+00 -1.689098142e+00 3.54 -1.550905036e+00 -1.550905036e+00 3.56 -1.420527080e+00 -1.420527080e+00 3.58 -1.298439265e+00 -1.298439265e+00 3.60 -1.184918438e+00 -1.184918438e+00 3.62 -1.080049086e+00 -1.080049086e+00 3.64 -9.837401138e-01 -9.837401138e-01 3.66 -8.957496833e-01 -8.957496833e-01 3.68 -8.157148587e-01 -8.157148587e-01 3.70 -7.431829903e-01 -7.431829903e-01 3.72 -6.776422301e-01 -6.776422301e-01 3.74 -6.185492182e-01 -6.185492182e-01 3.76 -5.653526466e-01 -5.653526466e-01 3.78 -5.175120148e-01 -5.175120148e-01 3.80 -4.745113998e-01 -4.745113998e-01 3.82 -4.358684650e-01 -4.358684650e-01 3.84 -4.011392409e-01 -4.011392409e-01 3.86 -3.699194318e-01 -3.699194318e-01 3.88 -3.418431386e-01 -3.418431386e-01 3.90 -3.165799244e-01 -3.165799244e-01 3.92 -2.938310851e-01 -2.938310851e-01 3.94 -2.733258269e-01 -2.733258269e-01 3.96 -2.548178286e-01 -2.548178286e-01 3.98 -2.380824334e-01 -2.380824334e-01 4.00 -2.229145066e-01 -2.229145066e-01 4.02 -2.091268600e-01 -2.091268600e-01 4.04 -1.965490729e-01 -1.965490729e-01 4.06 -1.850265526e-01 -1.850265526e-01 4.08 -1.744196705e-01 -1.744196705e-01 4.10 -1.646028419e-01 -1.646028419e-01 4.12 -1.554636955e-01 -1.554636955e-01 4.14 -1.469025495e-01 -1.469025495e-01 4.16 -1.388311188e-01 -1.388311188e-01 4.18 -1.311717868e-01 -1.311717868e-01 4.20 -1.238575050e-01 -1.238575050e-01 4.22 -1.168307070e-01 -1.168307070e-01 4.24 -1.100429775e-01 -1.100429775e-01 4.26 -1.034548690e-01 -1.034548690e-01 4.28 -9.703580100e-02 -9.703580100e-02 4.30 -9.076399817e-02 -9.076399817e-02 4.32 -8.462639625e-02 -8.462639625e-02 4.34 -7.861842778e-02 -7.861842778e-02 4.36 -7.274359338e-02 -7.274359338e-02 4.38 -6.701273396e-02 -6.701273396e-02 4.40 -6.144294782e-02 -6.144294782e-02 4.42 -5.605614248e-02 -5.605614248e-02 4.44 -5.087726946e-02 -5.087726946e-02 4.46 -4.593235018e-02 -4.593235018e-02 4.48 -4.124645032e-02 -4.124645032e-02 4.50 -3.684178491e-02 -3.684178491e-02 4.52 -3.273613048e-02 -3.273613048e-02 4.54 -2.894168027e-02 -2.894168027e-02 4.56 -2.546442303e-02 -2.546442303e-02 4.58 -2.230405087e-02 -2.230405087e-02 4.60 -1.945433685e-02 -1.945433685e-02 4.62 -1.690371644e-02 -1.690371644e-02 4.64 -1.463630631e-02 -1.463630631e-02 4.66 -1.263371513e-02 -1.263371513e-02 4.68 -1.087540588e-02 -1.087540588e-02 4.70 -9.339696077e-03 -9.339696077e-03 4.72 -8.004648534e-03 -8.004648534e-03 4.74 -6.848779863e-03 -6.848779863e-03 4.76 -5.851586452e-03 -5.851586452e-03 4.78 -4.993903333e-03 -4.993903333e-03 4.80 -4.258120289e-03 -4.258120289e-03 4.82 -3.628283169e-03 -3.628283169e-03 4.84 -3.090107276e-03 -3.090107276e-03 4.86 -2.630928137e-03 -2.630928137e-03 4.88 -2.239609927e-03 -2.239609927e-03 4.90 -1.906428377e-03 -1.906428377e-03 4.92 -1.622940816e-03 -1.622940816e-03 4.94 -1.381852589e-03 -1.381852589e-03 4.96 -1.176886264e-03 -1.176886264e-03 4.98 -1.002657764e-03 -1.002657764e-03 5.00 -8.545619171e-04 -8.545619171e-04 5.02 -7.286686110e-04 -7.286686110e-04 5.04 -6.216299372e-04 -6.216299372e-04 5.06 -5.305980820e-04 -5.305980820e-04 5.08 -4.531533810e-04 -4.531533810e-04 5.10 -3.872417348e-04 -3.872417348e-04 5.12 -3.311204916e-04 -3.311204916e-04 5.14 -2.833118749e-04 -2.833118749e-04 5.16 -2.425630629e-04 -2.425630629e-04 5.18 -2.078120769e-04 -2.078120769e-04 5.20 -1.781587110e-04 -1.781587110e-04 5.22 -1.528398074e-04 -1.528398074e-04 5.24 -1.312082641e-04 -1.312082641e-04 5.26 -1.127152354e-04 -1.127152354e-04 5.28 -9.689505267e-05 -9.689505267e-05 5.30 -8.335246198e-05 -8.335246198e-05 5.32 -7.175182633e-05 -7.175182633e-05 5.34 -6.180799462e-05 -6.180799462e-05 5.36 -5.327858116e-05 -5.327858116e-05 5.38 -4.595743841e-05 -4.595743841e-05 5.40 -3.966913822e-05 -3.966913822e-05 5.42 -3.426430522e-05 -3.426430522e-05 5.44 -2.961566988e-05 -2.961566988e-05 5.46 -2.561472921e-05 -2.561472921e-05 5.48 -2.216892069e-05 -2.216892069e-05 5.50 -1.919922938e-05 -1.919922938e-05 5.52 -1.663816116e-05 -1.663816116e-05 5.54 -1.442802502e-05 -1.442802502e-05 5.56 -1.251947663e-05 -1.251947663e-05 5.58 -1.087028280e-05 -1.087028280e-05 5.60 -9.444272653e-06 -9.444272653e-06 5.62 -8.210446868e-06 -8.210446868e-06 5.64 -7.142220621e-06 -7.142220621e-06 5.66 -6.216779854e-06 -6.216779854e-06 5.68 -5.414533501e-06 -5.414533501e-06 5.70 -4.718647105e-06 -4.718647105e-06 5.72 -4.114645474e-06 -4.114645474e-06 5.74 -3.590073928e-06 -3.590073928e-06 5.76 -3.134209324e-06 -3.134209324e-06 5.78 -2.737813380e-06 -2.737813380e-06 5.80 -2.392921969e-06 -2.392921969e-06 5.82 -2.092665019e-06 -2.092665019e-06 5.84 -1.831112484e-06 -1.831112484e-06 5.86 -1.603142508e-06 -1.603142508e-06 5.88 -1.404328533e-06 -1.404328533e-06 5.90 -1.230842549e-06 -1.230842549e-06 5.92 -1.079372132e-06 -1.079372132e-06 5.94 -9.470492599e-07 -9.470492599e-07 5.96 -8.313891977e-07 -8.313891977e-07 5.98 -7.302379848e-07 -7.302379848e-07 6.00 -6.417272969e-07 -6.417272969e-07