# 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 = AuMgPd2 # 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 3.596732651e+02 3.596732651e+02 1.30 3.333517762e+02 3.333517762e+02 1.32 3.089712780e+02 3.089712780e+02 1.34 2.863759969e+02 2.863759969e+02 1.36 2.654246602e+02 2.654246602e+02 1.38 2.459888809e+02 2.459888809e+02 1.40 2.279514091e+02 2.279514091e+02 1.42 2.112044527e+02 2.112044527e+02 1.44 1.956485958e+02 1.956485958e+02 1.46 1.811925082e+02 1.811925082e+02 1.48 1.677527963e+02 1.677527963e+02 1.50 1.552533409e+02 1.552533409e+02 1.52 1.436242343e+02 1.436242343e+02 1.54 1.328008424e+02 1.328008424e+02 1.56 1.227232236e+02 1.227232236e+02 1.58 1.133358170e+02 1.133358170e+02 1.60 1.045872895e+02 1.045872895e+02 1.62 9.643045904e+01 9.643045904e+01 1.64 8.882221310e+01 8.882221310e+01 1.66 8.172479637e+01 8.172479637e+01 1.68 7.511539253e+01 7.511539253e+01 1.70 6.898967554e+01 6.898967554e+01 1.72 6.332094350e+01 6.332094350e+01 1.74 5.807530449e+01 5.807530449e+01 1.76 5.322119777e+01 5.322119777e+01 1.78 4.872941671e+01 4.872941671e+01 1.80 4.457311662e+01 4.457311662e+01 1.82 4.072770510e+01 4.072770510e+01 1.84 3.717062647e+01 3.717062647e+01 1.86 3.388107960e+01 3.388107960e+01 1.88 3.083972119e+01 3.083972119e+01 1.90 2.802843625e+01 2.802843625e+01 1.92 2.543023044e+01 2.543023044e+01 1.94 2.302923826e+01 2.302923826e+01 1.96 2.081077766e+01 2.081077766e+01 1.98 1.876136841e+01 1.876136841e+01 2.00 1.686867245e+01 1.686867245e+01 2.02 1.512136711e+01 1.512136711e+01 2.04 1.350899779e+01 1.350899779e+01 2.06 1.202185262e+01 1.202185262e+01 2.08 1.065087697e+01 1.065087697e+01 2.10 9.387623259e+00 9.387623259e+00 2.12 8.224223299e+00 8.224223299e+00 2.14 7.153369192e+00 7.153369192e+00 2.16 6.168293556e+00 6.168293556e+00 2.18 5.262743769e+00 5.262743769e+00 2.20 4.430952113e+00 4.430952113e+00 2.22 3.667602550e+00 3.667602550e+00 2.24 2.967799172e+00 2.967799172e+00 2.26 2.327036210e+00 2.327036210e+00 2.28 1.741167998e+00 1.741167998e+00 2.30 1.206375856e+00 1.206375856e+00 2.32 7.191300741e-01 7.191300741e-01 2.34 2.761496100e-01 2.761496100e-01 2.36 -1.256390380e-01 -1.256390380e-01 2.38 -4.891376969e-01 -4.891376969e-01 2.40 -8.171047965e-01 -8.171047965e-01 2.42 -1.112175660e+00 -1.112175660e+00 2.44 -1.376874957e+00 -1.376874957e+00 2.46 -1.613624065e+00 -1.613624065e+00 2.48 -1.824741379e+00 -1.824741379e+00 2.50 -2.012434003e+00 -2.012434003e+00 2.52 -2.178780404e+00 -2.178780404e+00 2.54 -2.325708413e+00 -2.325708413e+00 2.56 -2.454976820e+00 -2.454976820e+00 2.58 -2.568167989e+00 -2.568167989e+00 2.60 -2.666693570e+00 -2.666693570e+00 2.62 -2.752380562e+00 -2.752380562e+00 2.64 -2.826555675e+00 -2.826555675e+00 2.66 -2.889746315e+00 -2.889746315e+00 2.68 -2.942480735e+00 -2.942480735e+00 2.70 -2.985281976e+00 -2.985281976e+00 2.72 -3.018663699e+00 -3.018663699e+00 2.74 -3.043128534e+00 -3.043128534e+00 2.76 -3.059169375e+00 -3.059169375e+00 2.78 -3.067312556e+00 -3.067312556e+00 2.80 -3.068139985e+00 -3.068139985e+00 2.82 -3.062217765e+00 -3.062217765e+00 2.84 -3.050099777e+00 -3.050099777e+00 2.86 -3.032336053e+00 -3.032336053e+00 2.88 -3.009478622e+00 -3.009478622e+00 2.90 -2.982083078e+00 -2.982083078e+00 2.92 -2.950704715e+00 -2.950704715e+00 2.94 -2.915889260e+00 -2.915889260e+00 2.96 -2.878159918e+00 -2.878159918e+00 2.98 -2.838003800e+00 -2.838003800e+00 3.00 -2.795861053e+00 -2.795861053e+00 3.02 -2.752118970e+00 -2.752118970e+00 3.04 -2.707111322e+00 -2.707111322e+00 3.06 -2.661122633e+00 -2.661122633e+00 3.08 -2.614392806e+00 -2.614392806e+00 3.10 -2.567123890e+00 -2.567123890e+00 3.12 -2.519485040e+00 -2.519485040e+00 3.14 -2.471617954e+00 -2.471617954e+00 3.16 -2.423639643e+00 -2.423639643e+00 3.18 -2.375647358e+00 -2.375647358e+00 3.20 -2.327722256e+00 -2.327722256e+00 3.22 -2.279935085e+00 -2.279935085e+00 3.24 -2.232363018e+00 -2.232363018e+00 3.26 -2.185049278e+00 -2.185049278e+00 3.28 -2.138029365e+00 -2.138029365e+00 3.30 -2.091340457e+00 -2.091340457e+00 3.32 -2.045021531e+00 -2.045021531e+00 3.34 -1.999112856e+00 -1.999112856e+00 3.36 -1.953655125e+00 -1.953655125e+00 3.38 -1.908688479e+00 -1.908688479e+00 3.40 -1.864246337e+00 -1.864246337e+00 3.42 -1.820338598e+00 -1.820338598e+00 3.44 -1.776971872e+00 -1.776971872e+00 3.46 -1.734156348e+00 -1.734156348e+00 3.48 -1.691904520e+00 -1.691904520e+00 3.50 -1.650230145e+00 -1.650230145e+00 3.52 -1.609147303e+00 -1.609147303e+00 3.54 -1.568669527e+00 -1.568669527e+00 3.56 -1.528809045e+00 -1.528809045e+00 3.58 -1.489576133e+00 -1.489576133e+00 3.60 -1.450978589e+00 -1.450978589e+00 3.62 -1.413021344e+00 -1.413021344e+00 3.64 -1.375706211e+00 -1.375706211e+00 3.66 -1.339031778e+00 -1.339031778e+00 3.68 -1.302993436e+00 -1.302993436e+00 3.70 -1.267583565e+00 -1.267583565e+00 3.72 -1.232791849e+00 -1.232791849e+00 3.74 -1.198605723e+00 -1.198605723e+00 3.76 -1.165010927e+00 -1.165010927e+00 3.78 -1.131992125e+00 -1.131992125e+00 3.80 -1.099533549e+00 -1.099533549e+00 3.82 -1.067619615e+00 -1.067619615e+00 3.84 -1.036235473e+00 -1.036235473e+00 3.86 -1.005367439e+00 -1.005367439e+00 3.88 -9.750033238e-01 -9.750033238e-01 3.90 -9.451326705e-01 -9.451326705e-01 3.92 -9.157468570e-01 -9.157468570e-01 3.94 -8.868397197e-01 -8.868397197e-01 3.96 -8.584072138e-01 -8.584072138e-01 3.98 -8.304482618e-01 -8.304482618e-01 4.00 -8.029651055e-01 -8.029651055e-01 4.02 -7.759637859e-01 -7.759637859e-01 4.04 -7.494545177e-01 -7.494545177e-01 4.06 -7.234518331e-01 -7.234518331e-01 4.08 -6.979743733e-01 -6.979743733e-01 4.10 -6.730439899e-01 -6.730439899e-01 4.12 -6.486857502e-01 -6.486857502e-01 4.14 -6.249247442e-01 -6.249247442e-01 4.16 -6.017856026e-01 -6.017856026e-01 4.18 -5.792904314e-01 -5.792904314e-01 4.20 -5.574572488e-01 -5.574572488e-01 4.22 -5.362987802e-01 -5.362987802e-01 4.24 -5.158217216e-01 -5.158217216e-01 4.26 -4.960264875e-01 -4.960264875e-01 4.28 -4.769073759e-01 -4.769073759e-01 4.30 -4.584530269e-01 -4.584530269e-01 4.32 -4.406470308e-01 -4.406470308e-01 4.34 -4.234685672e-01 -4.234685672e-01 4.36 -4.068929968e-01 -4.068929968e-01 4.38 -3.908923832e-01 -3.908923832e-01 4.40 -3.754359636e-01 -3.754359636e-01 4.42 -3.604906139e-01 -3.604906139e-01 4.44 -3.460213554e-01 -3.460213554e-01 4.46 -3.319919426e-01 -3.319919426e-01 4.48 -3.183655498e-01 -3.183655498e-01 4.50 -3.051055586e-01 -3.051055586e-01 4.52 -2.921764273e-01 -2.921764273e-01 4.54 -2.795446200e-01 -2.795446200e-01 4.56 -2.671795620e-01 -2.671795620e-01 4.58 -2.550545884e-01 -2.550545884e-01 4.60 -2.431478465e-01 -2.431478465e-01 4.62 -2.314431068e-01 -2.314431068e-01 4.64 -2.199304289e-01 -2.199304289e-01 4.66 -2.086066235e-01 -2.086066235e-01 4.68 -1.974754458e-01 -1.974754458e-01 4.70 -1.865474637e-01 -1.865474637e-01 4.72 -1.758395570e-01 -1.758395570e-01 4.74 -1.653740354e-01 -1.653740354e-01 4.76 -1.551774002e-01 -1.551774002e-01 4.78 -1.452788181e-01 -1.452788181e-01 4.80 -1.357082200e-01 -1.357082200e-01 4.82 -1.264953897e-01 -1.264953897e-01 4.84 -1.176670355e-01 -1.176670355e-01 4.86 -1.092463232e-01 -1.092463232e-01 4.88 -1.012516082e-01 -1.012516082e-01 4.90 -9.369581084e-02 -9.369581084e-02 4.92 -8.658619499e-02 -8.658619499e-02 4.94 -7.992450618e-02 -7.992450618e-02 4.96 -7.370736486e-02 -7.370736486e-02 4.98 -6.792685396e-02 -6.792685396e-02 5.00 -6.257120615e-02 -6.257120615e-02 5.02 -5.762549300e-02 -5.762549300e-02 5.04 -5.307173065e-02 -5.307173065e-02 5.06 -4.889023049e-02 -4.889023049e-02 5.08 -4.506097152e-02 -4.506097152e-02 5.10 -4.156264467e-02 -4.156264467e-02 5.12 -3.837317828e-02 -3.837317828e-02 5.14 -3.547014996e-02 -3.547014996e-02 5.16 -3.283117568e-02 -3.283117568e-02 5.18 -3.043440803e-02 -3.043440803e-02 5.20 -2.825865254e-02 -2.825865254e-02 5.22 -2.628359312e-02 -2.628359312e-02 5.24 -2.448997991e-02 -2.448997991e-02 5.26 -2.285977188e-02 -2.285977188e-02 5.28 -2.137623526e-02 -2.137623526e-02 5.30 -2.002400067e-02 -2.002400067e-02 5.32 -1.878908311e-02 -1.878908311e-02 5.34 -1.765886931e-02 -1.765886931e-02 5.36 -1.662207759e-02 -1.662207759e-02 5.38 -1.566869501e-02 -1.566869501e-02 5.40 -1.478989661e-02 -1.478989661e-02 5.42 -1.397794028e-02 -1.397794028e-02 5.44 -1.322605923e-02 -1.322605923e-02 5.46 -1.252840196e-02 -1.252840196e-02 5.48 -1.187988508e-02 -1.187988508e-02 5.50 -1.127608223e-02 -1.127608223e-02 5.52 -1.071312049e-02 -1.071312049e-02 5.54 -1.018758526e-02 -1.018758526e-02 5.56 -9.696435961e-03 -9.696435961e-03 5.58 -9.236934429e-03 -9.236934429e-03 5.60 -8.806586755e-03 -8.806586755e-03 5.62 -8.403098150e-03 -8.403098150e-03 5.64 -8.024339757e-03 -8.024339757e-03 5.66 -7.668325543e-03 -7.668325543e-03 5.68 -7.333197116e-03 -7.333197116e-03 5.70 -7.017214229e-03 -7.017214229e-03 5.72 -6.718748971e-03 -6.718748971e-03 5.74 -6.436281953e-03 -6.436281953e-03 5.76 -6.168399258e-03 -6.168399258e-03 5.78 -5.913789332e-03 -5.913789332e-03 5.80 -5.671239366e-03 -5.671239366e-03 5.82 -5.439631029e-03 -5.439631029e-03 5.84 -5.217935598e-03 -5.217935598e-03 5.86 -5.005208668e-03 -5.005208668e-03 5.88 -4.800584698e-03 -4.800584698e-03 5.90 -4.603271666e-03 -4.603271666e-03 5.92 -4.412546064e-03 -4.412546064e-03 5.94 -4.227748495e-03 -4.227748495e-03 5.96 -4.048280014e-03 -4.048280014e-03 5.98 -3.873599376e-03 -3.873599376e-03 6.00 -3.703221260e-03 -3.703221260e-03