# 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 = AgPbTa2 # 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 4.379968854e+02 4.379968854e+02 1.30 4.082323574e+02 4.082323574e+02 1.32 3.806038625e+02 3.806038625e+02 1.34 3.549437680e+02 3.549437680e+02 1.36 3.310935346e+02 3.310935346e+02 1.38 3.089053296e+02 3.089053296e+02 1.40 2.882439726e+02 2.882439726e+02 1.42 2.689879043e+02 2.689879043e+02 1.44 2.510287519e+02 2.510287519e+02 1.46 2.342698641e+02 2.342698641e+02 1.48 2.186245306e+02 2.186245306e+02 1.50 2.040143701e+02 2.040143701e+02 1.52 1.903679306e+02 1.903679306e+02 1.54 1.776193349e+02 1.776193349e+02 1.56 1.657070572e+02 1.657070572e+02 1.58 1.545731424e+02 1.545731424e+02 1.60 1.441630040e+02 1.441630040e+02 1.62 1.344256149e+02 1.344256149e+02 1.64 1.253137317e+02 1.253137317e+02 1.66 1.167839311e+02 1.167839311e+02 1.68 1.087963839e+02 1.087963839e+02 1.70 1.013144540e+02 1.013144540e+02 1.72 9.430423103e+01 9.430423103e+01 1.74 8.773409969e+01 8.773409969e+01 1.76 8.157441290e+01 8.157441290e+01 1.78 7.579729530e+01 7.579729530e+01 1.80 7.037657090e+01 7.037657090e+01 1.82 6.528777818e+01 6.528777818e+01 1.84 6.050916023e+01 6.050916023e+01 1.86 5.602720981e+01 5.602720981e+01 1.88 5.182388496e+01 5.182388496e+01 1.90 4.788128605e+01 4.788128605e+01 1.92 4.418524541e+01 4.418524541e+01 1.94 4.072804218e+01 4.072804218e+01 1.96 3.749710630e+01 3.749710630e+01 1.98 3.448026526e+01 3.448026526e+01 2.00 3.166607282e+01 3.166607282e+01 2.02 2.904344340e+01 2.904344340e+01 2.04 2.660139708e+01 2.660139708e+01 2.06 2.432896578e+01 2.432896578e+01 2.08 2.221525216e+01 2.221525216e+01 2.10 2.024958945e+01 2.024958945e+01 2.12 1.842172895e+01 1.842172895e+01 2.14 1.672199709e+01 1.672199709e+01 2.16 1.514139264e+01 1.514139264e+01 2.18 1.367162006e+01 1.367162006e+01 2.20 1.230506644e+01 1.230506644e+01 2.22 1.103474459e+01 1.103474459e+01 2.24 9.854212672e+00 9.854212672e+00 2.26 8.757485023e+00 8.757485023e+00 2.28 7.738941749e+00 7.738941749e+00 2.30 6.793253853e+00 6.793253853e+00 2.32 5.915323314e+00 5.915323314e+00 2.34 5.100261068e+00 5.100261068e+00 2.36 4.343391537e+00 4.343391537e+00 2.38 3.640287815e+00 3.640287815e+00 2.40 2.986820494e+00 2.986820494e+00 2.42 2.379204585e+00 2.379204585e+00 2.44 1.814027902e+00 1.814027902e+00 2.46 1.288255079e+00 1.288255079e+00 2.48 7.992048863e-01 7.992048863e-01 2.50 3.445076064e-01 3.445076064e-01 2.52 -7.794863126e-02 -7.794863126e-02 2.54 -4.699271167e-01 -4.699271167e-01 2.56 -8.331731137e-01 -8.331731137e-01 2.58 -1.169537167e+00 -1.169537167e+00 2.60 -1.480735976e+00 -1.480735976e+00 2.62 -1.768375074e+00 -1.768375074e+00 2.64 -2.033961533e+00 -2.033961533e+00 2.66 -2.278902394e+00 -2.278902394e+00 2.68 -2.504505856e+00 -2.504505856e+00 2.70 -2.711912636e+00 -2.711912636e+00 2.72 -2.901871972e+00 -2.901871972e+00 2.74 -3.075037768e+00 -3.075037768e+00 2.76 -3.232067710e+00 -3.232067710e+00 2.78 -3.373613162e+00 -3.373613162e+00 2.80 -3.500312918e+00 -3.500312918e+00 2.82 -3.612790018e+00 -3.612790018e+00 2.84 -3.711650544e+00 -3.711650544e+00 2.86 -3.797484079e+00 -3.797484079e+00 2.88 -3.870865081e+00 -3.870865081e+00 2.90 -3.932354567e+00 -3.932354567e+00 2.92 -3.982501548e+00 -3.982501548e+00 2.94 -4.021843770e+00 -4.021843770e+00 2.96 -4.050907546e+00 -4.050907546e+00 2.98 -4.070206708e+00 -4.070206708e+00 3.00 -4.080240893e+00 -4.080240893e+00 3.02 -4.081493570e+00 -4.081493570e+00 3.04 -4.074429906e+00 -4.074429906e+00 3.06 -4.059497465e+00 -4.059497465e+00 3.08 -4.037124099e+00 -4.037124099e+00 3.10 -4.007722377e+00 -4.007722377e+00 3.12 -3.971693348e+00 -3.971693348e+00 3.14 -3.929437648e+00 -3.929437648e+00 3.16 -3.881359925e+00 -3.881359925e+00 3.18 -3.827883697e+00 -3.827883697e+00 3.20 -3.769461034e+00 -3.769461034e+00 3.22 -3.706581744e+00 -3.706581744e+00 3.24 -3.639847691e+00 -3.639847691e+00 3.26 -3.569829334e+00 -3.569829334e+00 3.28 -3.497066344e+00 -3.497066344e+00 3.30 -3.422139086e+00 -3.422139086e+00 3.32 -3.345649472e+00 -3.345649472e+00 3.34 -3.268197828e+00 -3.268197828e+00 3.36 -3.190357706e+00 -3.190357706e+00 3.38 -3.112651161e+00 -3.112651161e+00 3.40 -3.035527133e+00 -3.035527133e+00 3.42 -2.959348609e+00 -2.959348609e+00 3.44 -2.884384943e+00 -2.884384943e+00 3.46 -2.810804381e+00 -2.810804381e+00 3.48 -2.738677932e+00 -2.738677932e+00 3.50 -2.667989695e+00 -2.667989695e+00 3.52 -2.598687882e+00 -2.598687882e+00 3.54 -2.530608874e+00 -2.530608874e+00 3.56 -2.463510663e+00 -2.463510663e+00 3.58 -2.397129719e+00 -2.397129719e+00 3.60 -2.331195213e+00 -2.331195213e+00 3.62 -2.265442440e+00 -2.265442440e+00 3.64 -2.199623876e+00 -2.199623876e+00 3.66 -2.133499922e+00 -2.133499922e+00 3.68 -2.066855491e+00 -2.066855491e+00 3.70 -1.999529611e+00 -1.999529611e+00 3.72 -1.931425763e+00 -1.931425763e+00 3.74 -1.862520124e+00 -1.862520124e+00 3.76 -1.792867237e+00 -1.792867237e+00 3.78 -1.722602141e+00 -1.722602141e+00 3.80 -1.651938108e+00 -1.651938108e+00 3.82 -1.581159436e+00 -1.581159436e+00 3.84 -1.510609303e+00 -1.510609303e+00 3.86 -1.440673247e+00 -1.440673247e+00 3.88 -1.371759475e+00 -1.371759475e+00 3.90 -1.304277662e+00 -1.304277662e+00 3.92 -1.238617796e+00 -1.238617796e+00 3.94 -1.175133024e+00 -1.175133024e+00 3.96 -1.114122547e+00 -1.114122547e+00 3.98 -1.055823071e+00 -1.055823071e+00 4.00 -1.000403308e+00 -1.000403308e+00 4.02 -9.479637257e-01 -9.479637257e-01 4.04 -8.985403906e-01 -8.985403906e-01 4.06 -8.521119232e-01 -8.521119232e-01 4.08 -8.086084560e-01 -8.086084560e-01 4.10 -7.679201405e-01 -7.679201405e-01 4.12 -7.299130312e-01 -7.299130312e-01 4.14 -6.944292098e-01 -6.944292098e-01 4.16 -6.613016579e-01 -6.613016579e-01 4.18 -6.303596057e-01 -6.303596057e-01 4.20 -6.014342336e-01 -6.014342336e-01 4.22 -5.743630233e-01 -5.743630233e-01 4.24 -5.489928530e-01 -5.489928530e-01 4.26 -5.251819703e-01 -5.251819703e-01 4.28 -5.028009938e-01 -5.028009938e-01 4.30 -4.817331039e-01 -4.817331039e-01 4.32 -4.618735854e-01 -4.618735854e-01 4.34 -4.431288885e-01 -4.431288885e-01 4.36 -4.254153723e-01 -4.254153723e-01 4.38 -4.086578929e-01 -4.086578929e-01 4.40 -3.927883831e-01 -3.927883831e-01 4.42 -3.777445354e-01 -3.777445354e-01 4.44 -3.634686899e-01 -3.634686899e-01 4.46 -3.499069682e-01 -3.499069682e-01 4.48 -3.370086509e-01 -3.370086509e-01 4.50 -3.247257723e-01 -3.247257723e-01 4.52 -3.130129039e-01 -3.130129039e-01 4.54 -3.018270416e-01 -3.018270416e-01 4.56 -2.911269422e-01 -2.911269422e-01 4.58 -2.808747511e-01 -2.808747511e-01 4.60 -2.710352901e-01 -2.710352901e-01 4.62 -2.615755717e-01 -2.615755717e-01 4.64 -2.524648928e-01 -2.524648928e-01 4.66 -2.436748635e-01 -2.436748635e-01 4.68 -2.351793929e-01 -2.351793929e-01 4.70 -2.269546528e-01 -2.269546528e-01 4.72 -2.189790351e-01 -2.189790351e-01 4.74 -2.112331162e-01 -2.112331162e-01 4.76 -2.036996363e-01 -2.036996363e-01 4.78 -1.963634974e-01 -1.963634974e-01 4.80 -1.892109819e-01 -1.892109819e-01 4.82 -1.822330944e-01 -1.822330944e-01 4.84 -1.754204050e-01 -1.754204050e-01 4.86 -1.687666800e-01 -1.687666800e-01 4.88 -1.622679182e-01 -1.622679182e-01 4.90 -1.559222886e-01 -1.559222886e-01 4.92 -1.497300043e-01 -1.497300043e-01 4.94 -1.436931197e-01 -1.436931197e-01 4.96 -1.378152450e-01 -1.378152450e-01 4.98 -1.321011825e-01 -1.321011825e-01 5.00 -1.265564979e-01 -1.265564979e-01 5.02 -1.211870514e-01 -1.211870514e-01 5.04 -1.159985205e-01 -1.159985205e-01 5.06 -1.109959508e-01 -1.109959508e-01 5.08 -1.061833694e-01 -1.061833694e-01 5.10 -1.015634905e-01 -1.015634905e-01 5.12 -9.713753078e-02 -9.713753078e-02 5.14 -9.290514040e-02 -9.290514040e-02 5.16 -8.886444244e-02 -8.886444244e-02 5.18 -8.501216184e-02 -8.501216184e-02 5.20 -8.134381884e-02 -8.134381884e-02 5.22 -7.785395811e-02 -7.785395811e-02 5.24 -7.453638622e-02 -7.453638622e-02 5.26 -7.138438023e-02 -7.138438023e-02 5.28 -6.839080460e-02 -6.839080460e-02 5.30 -6.554848219e-02 -6.554848219e-02 5.32 -6.285020309e-02 -6.285020309e-02 5.34 -6.028876738e-02 -6.028876738e-02 5.36 -5.785703010e-02 -5.785703010e-02 5.38 -5.554792604e-02 -5.554792604e-02 5.40 -5.335448241e-02 -5.335448241e-02 5.42 -5.126982717e-02 -5.126982717e-02 5.44 -4.928719980e-02 -4.928719980e-02 5.46 -4.739996555e-02 -4.739996555e-02 5.48 -4.560163437e-02 -4.560163437e-02 5.50 -4.388588384e-02 -4.388588384e-02 5.52 -4.224658434e-02 -4.224658434e-02 5.54 -4.067782411e-02 -4.067782411e-02 5.56 -3.917393256e-02 -3.917393256e-02 5.58 -3.772950007e-02 -3.772950007e-02 5.60 -3.633939356e-02 -3.633939356e-02 5.62 -3.499876729e-02 -3.499876729e-02 5.64 -3.370307049e-02 -3.370307049e-02 5.66 -3.244805053e-02 -3.244805053e-02 5.68 -3.122975350e-02 -3.122975350e-02 5.70 -3.004452381e-02 -3.004452381e-02 5.72 -2.888900341e-02 -2.888900341e-02 5.74 -2.776013185e-02 -2.776013185e-02 5.76 -2.665514778e-02 -2.665514778e-02 5.78 -2.557159259e-02 -2.557159259e-02 5.80 -2.450731651e-02 -2.450731651e-02 5.82 -2.346048699e-02 -2.346048699e-02 5.84 -2.242959907e-02 -2.242959907e-02 5.86 -2.141348709e-02 -2.141348709e-02 5.88 -2.041133631e-02 -2.041133631e-02 5.90 -1.942269345e-02 -1.942269345e-02 5.92 -1.844747392e-02 -1.844747392e-02 5.94 -1.748595183e-02 -1.748595183e-02 5.96 -1.653869527e-02 -1.653869527e-02 5.98 -1.560671383e-02 -1.560671383e-02 6.00 -1.469136533e-02 -1.469136533e-02