# 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 = AuMo2Pd # 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 3.518750845e+02 3.518750845e+02 1.30 3.264543241e+02 3.264543241e+02 1.32 3.028760812e+02 3.028760812e+02 1.34 2.809898954e+02 2.809898954e+02 1.36 2.606656075e+02 2.606656075e+02 1.38 2.417895145e+02 2.417895145e+02 1.40 2.242592910e+02 2.242592910e+02 1.42 2.079790697e+02 2.079790697e+02 1.44 1.928567450e+02 1.928567450e+02 1.46 1.788039176e+02 1.788039176e+02 1.48 1.657371477e+02 1.657371477e+02 1.50 1.535791933e+02 1.535791933e+02 1.52 1.422596651e+02 1.422596651e+02 1.54 1.317149548e+02 1.317149548e+02 1.56 1.218875139e+02 1.218875139e+02 1.58 1.127247694e+02 1.127247694e+02 1.60 1.041780607e+02 1.041780607e+02 1.62 9.620186975e+01 9.620186975e+01 1.64 8.875341970e+01 8.875341970e+01 1.66 8.179259556e+01 8.179259556e+01 1.68 7.528212416e+01 7.528212416e+01 1.70 6.918794723e+01 6.918794723e+01 1.72 6.347967174e+01 6.347967174e+01 1.74 5.813094018e+01 5.813094018e+01 1.76 5.311954595e+01 5.311954595e+01 1.78 4.842738291e+01 4.842738291e+01 1.80 4.404741582e+01 4.404741582e+01 1.82 3.998914576e+01 3.998914576e+01 1.84 3.624689521e+01 3.624689521e+01 1.86 3.280162682e+01 3.280162682e+01 1.88 2.963362742e+01 2.963362742e+01 1.90 2.672280001e+01 2.672280001e+01 1.92 2.404918310e+01 2.404918310e+01 1.94 2.159349130e+01 2.159349130e+01 1.96 1.933752716e+01 1.933752716e+01 1.98 1.726440767e+01 1.726440767e+01 2.00 1.535862901e+01 1.535862901e+01 2.02 1.360602295e+01 1.360602295e+01 2.04 1.199365000e+01 1.199365000e+01 2.06 1.050966178e+01 1.050966178e+01 2.08 9.143165052e+00 9.143165052e+00 2.10 7.884119638e+00 7.884119638e+00 2.12 6.723289315e+00 6.723289315e+00 2.14 5.652240845e+00 5.652240845e+00 2.16 4.663364830e+00 4.663364830e+00 2.18 3.749885604e+00 3.749885604e+00 2.20 2.905836935e+00 2.905836935e+00 2.22 2.125997979e+00 2.125997979e+00 2.24 1.405799122e+00 1.405799122e+00 2.26 7.412143245e-01 7.412143245e-01 2.28 1.286556316e-01 1.286556316e-01 2.30 -4.351196933e-01 -4.351196933e-01 2.32 -9.530848984e-01 -9.530848984e-01 2.34 -1.428002346e+00 -1.428002346e+00 2.36 -1.862467540e+00 -1.862467540e+00 2.38 -2.258941793e+00 -2.258941793e+00 2.40 -2.619776276e+00 -2.619776276e+00 2.42 -2.947229035e+00 -2.947229035e+00 2.44 -3.243475340e+00 -3.243475340e+00 2.46 -3.510610729e+00 -3.510610729e+00 2.48 -3.750645807e+00 -3.750645807e+00 2.50 -3.965492835e+00 -3.965492835e+00 2.52 -4.156946629e+00 -4.156946629e+00 2.54 -4.326486518e+00 -4.326486518e+00 2.56 -4.475557268e+00 -4.475557268e+00 2.58 -4.605813191e+00 -4.605813191e+00 2.60 -4.718713559e+00 -4.718713559e+00 2.62 -4.815541708e+00 -4.815541708e+00 2.64 -4.897430258e+00 -4.897430258e+00 2.66 -4.965386084e+00 -4.965386084e+00 2.68 -5.020312415e+00 -5.020312415e+00 2.70 -5.062817359e+00 -5.062817359e+00 2.72 -5.093112045e+00 -5.093112045e+00 2.74 -5.111428293e+00 -5.111428293e+00 2.76 -5.118058564e+00 -5.118058564e+00 2.78 -5.113349463e+00 -5.113349463e+00 2.80 -5.097697181e+00 -5.097697181e+00 2.82 -5.071590812e+00 -5.071590812e+00 2.84 -5.035827377e+00 -5.035827377e+00 2.86 -4.990937756e+00 -4.990937756e+00 2.88 -4.937348649e+00 -4.937348649e+00 2.90 -4.875548588e+00 -4.875548588e+00 2.92 -4.806128593e+00 -4.806128593e+00 2.94 -4.729772973e+00 -4.729772973e+00 2.96 -4.647242588e+00 -4.647242588e+00 2.98 -4.559351145e+00 -4.559351145e+00 3.00 -4.466960307e+00 -4.466960307e+00 3.02 -4.370943353e+00 -4.370943353e+00 3.04 -4.272110118e+00 -4.272110118e+00 3.06 -4.171182874e+00 -4.171182874e+00 3.08 -4.068775645e+00 -4.068775645e+00 3.10 -3.965380647e+00 -3.965380647e+00 3.12 -3.861364258e+00 -3.861364258e+00 3.14 -3.756972189e+00 -3.756972189e+00 3.16 -3.652342518e+00 -3.652342518e+00 3.18 -3.547524639e+00 -3.547524639e+00 3.20 -3.442501881e+00 -3.442501881e+00 3.22 -3.337215772e+00 -3.337215772e+00 3.24 -3.231590276e+00 -3.231590276e+00 3.26 -3.125554851e+00 -3.125554851e+00 3.28 -3.019065517e+00 -3.019065517e+00 3.30 -2.912123329e+00 -2.912123329e+00 3.32 -2.804789650e+00 -2.804789650e+00 3.34 -2.697197535e+00 -2.697197535e+00 3.36 -2.589558407e+00 -2.589558407e+00 3.38 -2.482163266e+00 -2.482163266e+00 3.40 -2.375377800e+00 -2.375377800e+00 3.42 -2.269631249e+00 -2.269631249e+00 3.44 -2.165399455e+00 -2.165399455e+00 3.46 -2.063183251e+00 -2.063183251e+00 3.48 -1.963484013e+00 -1.963484013e+00 3.50 -1.866778647e+00 -1.866778647e+00 3.52 -1.773496399e+00 -1.773496399e+00 3.54 -1.683999657e+00 -1.683999657e+00 3.56 -1.598570300e+00 -1.598570300e+00 3.58 -1.517402389e+00 -1.517402389e+00 3.60 -1.440601155e+00 -1.440601155e+00 3.62 -1.368187549e+00 -1.368187549e+00 3.64 -1.300107098e+00 -1.300107098e+00 3.66 -1.236241628e+00 -1.236241628e+00 3.68 -1.176422370e+00 -1.176422370e+00 3.70 -1.120443218e+00 -1.120443218e+00 3.72 -1.068073148e+00 -1.068073148e+00 3.74 -1.019067174e+00 -1.019067174e+00 3.76 -9.731754988e-01 -9.731754988e-01 3.78 -9.301507548e-01 -9.301507548e-01 3.80 -8.897534441e-01 -8.897534441e-01 3.82 -8.517557618e-01 -8.517557618e-01 3.84 -8.159440752e-01 -8.159440752e-01 3.86 -7.821203311e-01 -7.821203311e-01 3.88 -7.501026618e-01 -7.501026618e-01 3.90 -7.197254241e-01 -7.197254241e-01 3.92 -6.908388691e-01 -6.908388691e-01 3.94 -6.633085993e-01 -6.633085993e-01 3.96 -6.370149166e-01 -6.370149166e-01 3.98 -6.118521382e-01 -6.118521382e-01 4.00 -5.877279017e-01 -5.877279017e-01 4.02 -5.645624570e-01 -5.645624570e-01 4.04 -5.422879129e-01 -5.422879129e-01 4.06 -5.208473891e-01 -5.208473891e-01 4.08 -5.001940260e-01 -5.001940260e-01 4.10 -4.802898161e-01 -4.802898161e-01 4.12 -4.611042628e-01 -4.611042628e-01 4.14 -4.426128791e-01 -4.426128791e-01 4.16 -4.247956368e-01 -4.247956368e-01 4.18 -4.076354436e-01 -4.076354436e-01 4.20 -3.911167717e-01 -3.911167717e-01 4.22 -3.752245234e-01 -3.752245234e-01 4.24 -3.599431865e-01 -3.599431865e-01 4.26 -3.452562775e-01 -3.452562775e-01 4.28 -3.311460261e-01 -3.311460261e-01 4.30 -3.175932341e-01 -3.175932341e-01 4.32 -3.045772306e-01 -3.045772306e-01 4.34 -2.920757986e-01 -2.920757986e-01 4.36 -2.800651012e-01 -2.800651012e-01 4.38 -2.685202815e-01 -2.685202815e-01 4.40 -2.574150352e-01 -2.574150352e-01 4.42 -2.467217255e-01 -2.467217255e-01 4.44 -2.364116455e-01 -2.364116455e-01 4.46 -2.264553752e-01 -2.264553752e-01 4.48 -2.168231847e-01 -2.168231847e-01 4.50 -2.074855830e-01 -2.074855830e-01 4.52 -1.984140920e-01 -1.984140920e-01 4.54 -1.895816620e-01 -1.895816620e-01 4.56 -1.809632934e-01 -1.809632934e-01 4.58 -1.725366429e-01 -1.725366429e-01 4.60 -1.642825805e-01 -1.642825805e-01 4.62 -1.561856729e-01 -1.561856729e-01 4.64 -1.482345676e-01 -1.482345676e-01 4.66 -1.404222504e-01 -1.404222504e-01 4.68 -1.327461462e-01 -1.327461462e-01 4.70 -1.252080387e-01 -1.252080387e-01 4.72 -1.178137931e-01 -1.178137931e-01 4.74 -1.105728800e-01 -1.105728800e-01 4.76 -1.034977206e-01 -1.034977206e-01 4.78 -9.660289368e-02 -9.660289368e-02 4.80 -8.990426442e-02 -8.990426442e-02 4.82 -8.341810892e-02 -8.341810892e-02 4.84 -7.716029772e-02 -7.716029772e-02 4.86 -7.114561139e-02 -7.114561139e-02 4.88 -6.538721597e-02 -6.538721597e-02 4.90 -5.989631373e-02 -5.989631373e-02 4.92 -5.468195302e-02 -5.468195302e-02 4.94 -4.975096073e-02 -4.975096073e-02 4.96 -4.510795364e-02 -4.510795364e-02 4.98 -4.075539236e-02 -4.075539236e-02 5.00 -3.669362457e-02 -3.669362457e-02 5.02 -3.292092299e-02 -3.292092299e-02 5.04 -2.943350958e-02 -2.943350958e-02 5.06 -2.622557883e-02 -2.622557883e-02 5.08 -2.328936589e-02 -2.328936589e-02 5.10 -2.061524596e-02 -2.061524596e-02 5.12 -1.819189034e-02 -1.819189034e-02 5.14 -1.600632538e-02 -1.600632538e-02 5.16 -1.404423591e-02 -1.404423591e-02 5.18 -1.229098836e-02 -1.229098836e-02 5.20 -1.073128743e-02 -1.073128743e-02 5.22 -9.349510051e-03 -9.349510051e-03 5.24 -8.130052620e-03 -8.130052620e-03 5.26 -7.057632605e-03 -7.057632605e-03 5.28 -6.117536500e-03 -6.117536500e-03 5.30 -5.295811035e-03 -5.295811035e-03 5.32 -4.579399055e-03 -4.579399055e-03 5.34 -3.956224742e-03 -3.956224742e-03 5.36 -3.415234936e-03 -3.415234936e-03 5.38 -2.946404299e-03 -2.946404299e-03 5.40 -2.540712191e-03 -2.540712191e-03 5.42 -2.190098665e-03 -2.190098665e-03 5.44 -1.887406110e-03 -1.887406110e-03 5.46 -1.626312050e-03 -1.626312050e-03 5.48 -1.401257516e-03 -1.401257516e-03 5.50 -1.207374409e-03 -1.207374409e-03 5.52 -1.040414357e-03 -1.040414357e-03 5.54 -8.966808177e-04 -8.966808177e-04 5.56 -7.729655569e-04 -7.729655569e-04 5.58 -6.664901410e-04 -6.664901410e-04 5.60 -5.748527365e-04 -5.748527365e-04 5.62 -4.959802282e-04 -4.959802282e-04 5.64 -4.280854914e-04 -4.280854914e-04 5.66 -3.696295333e-04 -3.696295333e-04 5.68 -3.192881471e-04 -3.192881471e-04 5.70 -2.759226846e-04 -2.759226846e-04 5.72 -2.385545470e-04 -2.385545470e-04 5.74 -2.063429968e-04 -2.063429968e-04 5.76 -1.785659158e-04 -1.785659158e-04 5.78 -1.546031591e-04 -1.546031591e-04 5.80 -1.339221831e-04 -1.339221831e-04 5.82 -1.160656597e-04 -1.160656597e-04 5.84 -1.006408156e-04 -1.006408156e-04 5.86 -8.731026733e-05 -8.731026733e-05 5.88 -7.578415039e-05 -7.578415039e-05 5.90 -6.581336291e-05 -6.581336291e-05 5.92 -5.718377082e-05 -5.718377082e-05 5.94 -4.971123892e-05 -4.971123892e-05 5.96 -4.323737177e-05 -4.323737177e-05 5.98 -3.762586347e-05 -3.762586347e-05 6.00 -3.275936971e-05 -3.275936971e-05