# 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 = CoCu2W # 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 1.737738845e+02 1.737738845e+02 1.30 1.594963904e+02 1.594963904e+02 1.32 1.463728708e+02 1.463728708e+02 1.34 1.343054416e+02 1.343054416e+02 1.36 1.232022300e+02 1.232022300e+02 1.38 1.129775704e+02 1.129775704e+02 1.40 1.035529658e+02 1.035529658e+02 1.42 9.485825257e+01 9.485825257e+01 1.44 8.683164816e+01 8.683164816e+01 1.46 7.941856084e+01 7.941856084e+01 1.48 7.257016182e+01 7.257016182e+01 1.50 6.624245025e+01 6.624245025e+01 1.52 6.039575443e+01 6.039575443e+01 1.54 5.499429425e+01 5.499429425e+01 1.56 5.000563265e+01 5.000563265e+01 1.58 4.540016657e+01 4.540016657e+01 1.60 4.115085743e+01 4.115085743e+01 1.62 3.723312682e+01 3.723312682e+01 1.64 3.362476310e+01 3.362476310e+01 1.66 3.030586795e+01 3.030586795e+01 1.68 2.725718884e+01 2.725718884e+01 1.70 2.446008808e+01 2.446008808e+01 1.72 2.189678989e+01 2.189678989e+01 1.74 1.954937730e+01 1.954937730e+01 1.76 1.739927366e+01 1.739927366e+01 1.78 1.542824689e+01 1.542824689e+01 1.80 1.361903080e+01 1.361903080e+01 1.82 1.195584820e+01 1.195584820e+01 1.84 1.042485129e+01 1.042485129e+01 1.86 9.014284073e+00 9.014284073e+00 1.88 7.714361582e+00 7.714361582e+00 1.90 6.516938396e+00 6.516938396e+00 1.92 5.415085307e+00 5.415085307e+00 1.94 4.402698286e+00 4.402698286e+00 1.96 3.474216770e+00 3.474216770e+00 1.98 2.624454757e+00 2.624454757e+00 2.00 1.848500426e+00 1.848500426e+00 2.02 1.141638367e+00 1.141638367e+00 2.04 4.992724410e-01 4.992724410e-01 2.06 -8.314557805e-02 -8.314557805e-02 2.08 -6.101593433e-01 -6.101593433e-01 2.10 -1.086302613e+00 -1.086302613e+00 2.12 -1.516041372e+00 -1.516041372e+00 2.14 -1.903678374e+00 -1.903678374e+00 2.16 -2.253246744e+00 -2.253246744e+00 2.18 -2.568400271e+00 -2.568400271e+00 2.20 -2.852277967e+00 -2.852277967e+00 2.22 -3.107918182e+00 -3.107918182e+00 2.24 -3.337990271e+00 -3.337990271e+00 2.26 -3.544795493e+00 -3.544795493e+00 2.28 -3.730361928e+00 -3.730361928e+00 2.30 -3.896490810e+00 -3.896490810e+00 2.32 -4.044454114e+00 -4.044454114e+00 2.34 -4.175323076e+00 -4.175323076e+00 2.36 -4.290239563e+00 -4.290239563e+00 2.38 -4.390328674e+00 -4.390328674e+00 2.40 -4.476632554e+00 -4.476632554e+00 2.42 -4.550081969e+00 -4.550081969e+00 2.44 -4.611501817e+00 -4.611501817e+00 2.46 -4.661636163e+00 -4.661636163e+00 2.48 -4.701176751e+00 -4.701176751e+00 2.50 -4.730784678e+00 -4.730784678e+00 2.52 -4.751142305e+00 -4.751142305e+00 2.54 -4.762863156e+00 -4.762863156e+00 2.56 -4.766507499e+00 -4.766507499e+00 2.58 -4.762632511e+00 -4.762632511e+00 2.60 -4.751787686e+00 -4.751787686e+00 2.62 -4.734509507e+00 -4.734509507e+00 2.64 -4.711316610e+00 -4.711316610e+00 2.66 -4.682705115e+00 -4.682705115e+00 2.68 -4.649099264e+00 -4.649099264e+00 2.70 -4.610862549e+00 -4.610862549e+00 2.72 -4.568536640e+00 -4.568536640e+00 2.74 -4.522741427e+00 -4.522741427e+00 2.76 -4.473346377e+00 -4.473346377e+00 2.78 -4.420250453e+00 -4.420250453e+00 2.80 -4.363407767e+00 -4.363407767e+00 2.82 -4.302813736e+00 -4.302813736e+00 2.84 -4.238499132e+00 -4.238499132e+00 2.86 -4.170530798e+00 -4.170530798e+00 2.88 -4.099022386e+00 -4.099022386e+00 2.90 -4.024176893e+00 -4.024176893e+00 2.92 -3.946258421e+00 -3.946258421e+00 2.94 -3.865575743e+00 -3.865575743e+00 2.96 -3.782483738e+00 -3.782483738e+00 2.98 -3.697379553e+00 -3.697379553e+00 3.00 -3.610692774e+00 -3.610692774e+00 3.02 -3.522869797e+00 -3.522869797e+00 3.04 -3.434353401e+00 -3.434353401e+00 3.06 -3.345559611e+00 -3.345559611e+00 3.08 -3.256854892e+00 -3.256854892e+00 3.10 -3.168537154e+00 -3.168537154e+00 3.12 -3.080823544e+00 -3.080823544e+00 3.14 -2.993846567e+00 -2.993846567e+00 3.16 -2.907658376e+00 -2.907658376e+00 3.18 -2.822241661e+00 -2.822241661e+00 3.20 -2.737524949e+00 -2.737524949e+00 3.22 -2.653400218e+00 -2.653400218e+00 3.24 -2.569741175e+00 -2.569741175e+00 3.26 -2.486421106e+00 -2.486421106e+00 3.28 -2.403329535e+00 -2.403329535e+00 3.30 -2.320387110e+00 -2.320387110e+00 3.32 -2.237558148e+00 -2.237558148e+00 3.34 -2.154860216e+00 -2.154860216e+00 3.36 -2.072370111e+00 -2.072370111e+00 3.38 -1.990225713e+00 -1.990225713e+00 3.40 -1.908623338e+00 -1.908623338e+00 3.42 -1.827810591e+00 -1.827810591e+00 3.44 -1.748075090e+00 -1.748075090e+00 3.46 -1.669729862e+00 -1.669729862e+00 3.48 -1.593096605e+00 -1.593096605e+00 3.50 -1.518488267e+00 -1.518488267e+00 3.52 -1.446192487e+00 -1.446192487e+00 3.54 -1.376457342e+00 -1.376457342e+00 3.56 -1.309480540e+00 -1.309480540e+00 3.58 -1.245402781e+00 -1.245402781e+00 3.60 -1.184305490e+00 -1.184305490e+00 3.62 -1.126212674e+00 -1.126212674e+00 3.64 -1.071096272e+00 -1.071096272e+00 3.66 -1.018884126e+00 -1.018884126e+00 3.68 -9.694696047e-01 -9.694696047e-01 3.70 -9.227219123e-01 -9.227219123e-01 3.72 -8.784962304e-01 -8.784962304e-01 3.74 -8.366429573e-01 -8.366429573e-01 3.76 -7.970154694e-01 -7.970154694e-01 3.78 -7.594759850e-01 -7.594759850e-01 3.80 -7.238992781e-01 -7.238992781e-01 3.82 -6.901741821e-01 -6.901741821e-01 3.84 -6.582030377e-01 -6.582030377e-01 3.86 -6.278994580e-01 -6.278994580e-01 3.88 -5.991849735e-01 -5.991849735e-01 3.90 -5.719852287e-01 -5.719852287e-01 3.92 -5.462263978e-01 -5.462263978e-01 3.94 -5.218323593e-01 -5.218323593e-01 3.96 -4.987229540e-01 -4.987229540e-01 3.98 -4.768134073e-01 -4.768134073e-01 4.00 -4.560147772e-01 -4.560147772e-01 4.02 -4.362351600e-01 -4.362351600e-01 4.04 -4.173813339e-01 -4.173813339e-01 4.06 -3.993605544e-01 -3.993605544e-01 4.08 -3.820822899e-01 -3.820822899e-01 4.10 -3.654597808e-01 -3.654597808e-01 4.12 -3.494113815e-01 -3.494113815e-01 4.14 -3.338617029e-01 -3.338617029e-01 4.16 -3.187426005e-01 -3.187426005e-01 4.18 -3.039940524e-01 -3.039940524e-01 4.20 -2.895649535e-01 -2.895649535e-01 4.22 -2.754138254e-01 -2.754138254e-01 4.24 -2.615094114e-01 -2.615094114e-01 4.26 -2.478311037e-01 -2.478311037e-01 4.28 -2.343691444e-01 -2.343691444e-01 4.30 -2.211245465e-01 -2.211245465e-01 4.32 -2.081086954e-01 -2.081086954e-01 4.34 -1.953426121e-01 -1.953426121e-01 4.36 -1.828558654e-01 -1.828558654e-01 4.38 -1.706851292e-01 -1.706851292e-01 4.40 -1.588723818e-01 -1.588723818e-01 4.42 -1.474627631e-01 -1.474627631e-01 4.44 -1.365021412e-01 -1.365021412e-01 4.46 -1.260344965e-01 -1.260344965e-01 4.48 -1.160992977e-01 -1.160992977e-01 4.50 -1.067290857e-01 -1.067290857e-01 4.52 -9.794749609e-02 -9.794749609e-02 4.54 -8.976791261e-02 -8.976791261e-02 4.56 -8.219286954e-02 -8.219286954e-02 4.58 -7.521422074e-02 -7.521422074e-02 4.60 -6.881399808e-02 -6.881399808e-02 4.62 -6.296580750e-02 -6.296580750e-02 4.64 -5.763657037e-02 -5.763657037e-02 4.66 -5.278841380e-02 -5.278841380e-02 4.68 -4.838054437e-02 -4.838054437e-02 4.70 -4.437097171e-02 -4.437097171e-02 4.72 -4.071772963e-02 -4.071772963e-02 4.74 -3.738055945e-02 -3.738055945e-02 4.76 -3.432211943e-02 -3.432211943e-02 4.78 -3.150808924e-02 -3.150808924e-02 4.80 -2.890772724e-02 -2.890772724e-02 4.82 -2.649422055e-02 -2.649422055e-02 4.84 -2.424484726e-02 -2.424484726e-02 4.86 -2.214097807e-02 -2.214097807e-02 4.88 -2.016793223e-02 -2.016793223e-02 4.90 -1.831469794e-02 -1.831469794e-02 4.92 -1.657352637e-02 -1.657352637e-02 4.94 -1.493941378e-02 -1.493941378e-02 4.96 -1.340936924e-02 -1.340936924e-02 4.98 -1.198193125e-02 -1.198193125e-02 5.00 -1.065664080e-02 -1.065664080e-02 5.02 -9.433221821e-03 -9.433221821e-03 5.04 -8.311056110e-03 -8.311056110e-03 5.06 -7.288790448e-03 -7.288790448e-03 5.08 -6.364094783e-03 -6.364094783e-03 5.10 -5.533570766e-03 -5.533570766e-03 5.12 -4.792792391e-03 -4.792792391e-03 5.14 -4.136448096e-03 -4.136448096e-03 5.16 -3.558548008e-03 -3.558548008e-03 5.18 -3.052660830e-03 -3.052660830e-03 5.20 -2.612150306e-03 -2.612150306e-03 5.22 -2.230389316e-03 -2.230389316e-03 5.24 -1.900938177e-03 -1.900938177e-03 5.26 -1.617681378e-03 -1.617681378e-03 5.28 -1.374922799e-03 -1.374922799e-03 5.30 -1.167443384e-03 -1.167443384e-03 5.32 -9.905273339e-04 -9.905273339e-04 5.34 -8.399636132e-04 -8.399636132e-04 5.36 -7.120293774e-04 -7.120293774e-04 5.38 -6.034611295e-04 -6.034611295e-04 5.40 -5.114184195e-04 -5.114184195e-04 5.42 -4.334438341e-04 -4.334438341e-04 5.44 -3.674220407e-04 -3.674220407e-04 5.46 -3.115398197e-04 -3.115398197e-04 5.48 -2.642483371e-04 -2.642483371e-04 5.50 -2.242283991e-04 -2.242283991e-04 5.52 -1.903590433e-04 -1.903590433e-04 5.54 -1.616895589e-04 -1.616895589e-04 5.56 -1.374148462e-04 -1.374148462e-04 5.58 -1.168539177e-04 -1.168539177e-04 5.60 -9.943127938e-05 -9.943127938e-05 5.62 -8.466090404e-05 -8.466090404e-05 5.64 -7.213250299e-05 -7.213250299e-05 5.66 -6.149981398e-05 -6.149981398e-05 5.68 -5.247064121e-05 -5.247064121e-05 5.70 -4.479840760e-05 -4.479840760e-05 5.72 -3.827500466e-05 -3.827500466e-05 5.74 -3.272475076e-05 -3.272475076e-05 5.76 -2.799929246e-05 -2.799929246e-05 5.78 -2.397330599e-05 -2.397330599e-05 5.80 -2.054087599e-05 -2.054087599e-05 5.82 -1.761244635e-05 -1.761244635e-05 5.84 -1.511225346e-05 -1.511225346e-05 5.86 -1.297616606e-05 -1.297616606e-05 5.88 -1.114986716e-05 -1.114986716e-05 5.90 -9.587323875e-06 -9.587323875e-06 5.92 -8.249499234e-06 -8.249499234e-06 5.94 -7.103267422e-06 -7.103267422e-06 5.96 -6.120500051e-06 -6.120500051e-06 5.98 -5.277296157e-06 -5.277296157e-06 6.00 -4.553333026e-06 -4.553333026e-06