# 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 = Cu2MgTi # 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 2.012717969e+02 2.012717969e+02 1.30 1.857812171e+02 1.857812171e+02 1.32 1.714861511e+02 1.714861511e+02 1.34 1.582868754e+02 1.582868754e+02 1.36 1.460936366e+02 1.460936366e+02 1.38 1.348259123e+02 1.348259123e+02 1.40 1.244107067e+02 1.244107067e+02 1.42 1.147812057e+02 1.147812057e+02 1.44 1.058760740e+02 1.058760740e+02 1.46 9.763893046e+01 9.763893046e+01 1.48 9.001766490e+01 9.001766490e+01 1.50 8.296387880e+01 8.296387880e+01 1.52 7.643276460e+01 7.643276460e+01 1.54 7.038319762e+01 7.038319762e+01 1.56 6.477768518e+01 6.477768518e+01 1.58 5.958216255e+01 5.958216255e+01 1.60 5.476582911e+01 5.476582911e+01 1.62 5.030120883e+01 5.030120883e+01 1.64 4.616358655e+01 4.616358655e+01 1.66 4.233029377e+01 4.233029377e+01 1.68 3.878035043e+01 3.878035043e+01 1.70 3.549402241e+01 3.549402241e+01 1.72 3.245236729e+01 3.245236729e+01 1.74 2.963727105e+01 2.963727105e+01 1.76 2.703161881e+01 2.703161881e+01 1.78 2.461945296e+01 2.461945296e+01 1.80 2.238607250e+01 2.238607250e+01 1.82 2.031807061e+01 2.031807061e+01 1.84 1.840327694e+01 1.840327694e+01 1.86 1.663061250e+01 1.663061250e+01 1.88 1.498989644e+01 1.498989644e+01 1.90 1.347167275e+01 1.347167275e+01 1.92 1.206709634e+01 1.206709634e+01 1.94 1.076789809e+01 1.076789809e+01 1.96 9.566414438e+00 9.566414438e+00 1.98 8.455638329e+00 8.455638329e+00 2.00 7.429225213e+00 7.429225213e+00 2.02 6.481422510e+00 6.481422510e+00 2.04 5.606950821e+00 5.606950821e+00 2.06 4.800891799e+00 4.800891799e+00 2.08 4.058619885e+00 4.058619885e+00 2.10 3.375779796e+00 3.375779796e+00 2.12 2.748285956e+00 2.748285956e+00 2.14 2.172317706e+00 2.172317706e+00 2.16 1.644299697e+00 1.644299697e+00 2.18 1.160866644e+00 1.160866644e+00 2.20 7.188224898e-01 7.188224898e-01 2.22 3.151018888e-01 3.151018888e-01 2.24 -5.325431467e-02 -5.325431467e-02 2.26 -3.891059798e-01 -3.891059798e-01 2.28 -6.952056021e-01 -6.952056021e-01 2.30 -9.741765665e-01 -9.741765665e-01 2.32 -1.228485004e+00 -1.228485004e+00 2.34 -1.460398214e+00 -1.460398214e+00 2.36 -1.671943924e+00 -1.671943924e+00 2.38 -1.864881075e+00 -1.864881075e+00 2.40 -2.040731166e+00 -2.040731166e+00 2.42 -2.200772987e+00 -2.200772987e+00 2.44 -2.346004191e+00 -2.346004191e+00 2.46 -2.477315065e+00 -2.477315065e+00 2.48 -2.595532528e+00 -2.595532528e+00 2.50 -2.701445362e+00 -2.701445362e+00 2.52 -2.795815486e+00 -2.795815486e+00 2.54 -2.879378014e+00 -2.879378014e+00 2.56 -2.952777682e+00 -2.952777682e+00 2.58 -3.016564151e+00 -3.016564151e+00 2.60 -3.071285745e+00 -3.071285745e+00 2.62 -3.117496532e+00 -3.117496532e+00 2.64 -3.156124071e+00 -3.156124071e+00 2.66 -3.187658634e+00 -3.187658634e+00 2.68 -3.212248860e+00 -3.212248860e+00 2.70 -3.230131942e+00 -3.230131942e+00 2.72 -3.241616622e+00 -3.241616622e+00 2.74 -3.247062012e+00 -3.247062012e+00 2.76 -3.246853604e+00 -3.246853604e+00 2.78 -3.241379557e+00 -3.241379557e+00 2.80 -3.231027354e+00 -3.231027354e+00 2.82 -3.216196380e+00 -3.216196380e+00 2.84 -3.197251675e+00 -3.197251675e+00 2.86 -3.174519732e+00 -3.174519732e+00 2.88 -3.148298909e+00 -3.148298909e+00 2.90 -3.118870034e+00 -3.118870034e+00 2.92 -3.086505153e+00 -3.086505153e+00 2.94 -3.051473695e+00 -3.051473695e+00 2.96 -3.014046345e+00 -3.014046345e+00 2.98 -2.974497038e+00 -2.974497038e+00 3.00 -2.933103114e+00 -2.933103114e+00 3.02 -2.890143093e+00 -2.890143093e+00 3.04 -2.845891277e+00 -2.845891277e+00 3.06 -2.800610861e+00 -2.800610861e+00 3.08 -2.754543082e+00 -2.754543082e+00 3.10 -2.707899994e+00 -2.707899994e+00 3.12 -2.660858501e+00 -2.660858501e+00 3.14 -2.613559783e+00 -2.613559783e+00 3.16 -2.566110050e+00 -2.566110050e+00 3.18 -2.518594466e+00 -2.518594466e+00 3.20 -2.471075492e+00 -2.471075492e+00 3.22 -2.423571533e+00 -2.423571533e+00 3.24 -2.376091221e+00 -2.376091221e+00 3.26 -2.328638486e+00 -2.328638486e+00 3.28 -2.281215997e+00 -2.281215997e+00 3.30 -2.233827951e+00 -2.233827951e+00 3.32 -2.186482162e+00 -2.186482162e+00 3.34 -2.139191192e+00 -2.139191192e+00 3.36 -2.091961290e+00 -2.091961290e+00 3.38 -2.044787961e+00 -2.044787961e+00 3.40 -1.997677822e+00 -1.997677822e+00 3.42 -1.950649847e+00 -1.950649847e+00 3.44 -1.903734132e+00 -1.903734132e+00 3.46 -1.856971228e+00 -1.856971228e+00 3.48 -1.810411022e+00 -1.810411022e+00 3.50 -1.764111374e+00 -1.764111374e+00 3.52 -1.718136215e+00 -1.718136215e+00 3.54 -1.672552949e+00 -1.672552949e+00 3.56 -1.627429175e+00 -1.627429175e+00 3.58 -1.582828961e+00 -1.582828961e+00 3.60 -1.538809215e+00 -1.538809215e+00 3.62 -1.495416814e+00 -1.495416814e+00 3.64 -1.452687082e+00 -1.452687082e+00 3.66 -1.410643963e+00 -1.410643963e+00 3.68 -1.369301833e+00 -1.369301833e+00 3.70 -1.328668564e+00 -1.328668564e+00 3.72 -1.288749249e+00 -1.288749249e+00 3.74 -1.249549960e+00 -1.249549960e+00 3.76 -1.211080950e+00 -1.211080950e+00 3.78 -1.173358869e+00 -1.173358869e+00 3.80 -1.136407702e+00 -1.136407702e+00 3.82 -1.100258288e+00 -1.100258288e+00 3.84 -1.064946483e+00 -1.064946483e+00 3.86 -1.030510206e+00 -1.030510206e+00 3.88 -9.969857818e-01 -9.969857818e-01 3.90 -9.644041373e-01 -9.644041373e-01 3.92 -9.327872632e-01 -9.327872632e-01 3.94 -9.021462466e-01 -9.021462466e-01 3.96 -8.724790393e-01 -8.724790393e-01 3.98 -8.437709482e-01 -8.437709482e-01 4.00 -8.159954144e-01 -8.159954144e-01 4.02 -7.891157420e-01 -7.891157420e-01 4.04 -7.630872635e-01 -7.630872635e-01 4.06 -7.378596243e-01 -7.378596243e-01 4.08 -7.133789433e-01 -7.133789433e-01 4.10 -6.895893877e-01 -6.895893877e-01 4.12 -6.664360896e-01 -6.664360896e-01 4.14 -6.438642996e-01 -6.438642996e-01 4.16 -6.218219230e-01 -6.218219230e-01 4.18 -6.002600056e-01 -6.002600056e-01 4.20 -5.791335538e-01 -5.791335538e-01 4.22 -5.584023609e-01 -5.584023609e-01 4.24 -5.380318888e-01 -5.380318888e-01 4.26 -5.179942217e-01 -5.179942217e-01 4.28 -4.982690673e-01 -4.982690673e-01 4.30 -4.788447416e-01 -4.788447416e-01 4.32 -4.597190300e-01 -4.597190300e-01 4.34 -4.408997842e-01 -4.408997842e-01 4.36 -4.224050975e-01 -4.224050975e-01 4.38 -4.042629059e-01 -4.042629059e-01 4.40 -3.865099034e-01 -3.865099034e-01 4.42 -3.691897297e-01 -3.691897297e-01 4.44 -3.523504879e-01 -3.523504879e-01 4.46 -3.360417542e-01 -3.360417542e-01 4.48 -3.203113410e-01 -3.203113410e-01 4.50 -3.052021294e-01 -3.052021294e-01 4.52 -2.907492958e-01 -2.907492958e-01 4.54 -2.769782038e-01 -2.769782038e-01 4.56 -2.639031382e-01 -2.639031382e-01 4.58 -2.515269344e-01 -2.515269344e-01 4.60 -2.398414397e-01 -2.398414397e-01 4.62 -2.288286505e-01 -2.288286505e-01 4.64 -2.184623181e-01 -2.184623181e-01 4.66 -2.087098004e-01 -2.087098004e-01 4.68 -1.995339628e-01 -1.995339628e-01 4.70 -1.908949728e-01 -1.908949728e-01 4.72 -1.827518836e-01 -1.827518836e-01 4.74 -1.750639553e-01 -1.750639553e-01 4.76 -1.677916986e-01 -1.677916986e-01 4.78 -1.608976592e-01 -1.608976592e-01 4.80 -1.543467352e-01 -1.543467352e-01 4.82 -1.481075583e-01 -1.481075583e-01 4.84 -1.421511424e-01 -1.421511424e-01 4.86 -1.364521116e-01 -1.364521116e-01 4.88 -1.309884448e-01 -1.309884448e-01 4.90 -1.257414435e-01 -1.257414435e-01 4.92 -1.206956372e-01 -1.206956372e-01 4.94 -1.158385822e-01 -1.158385822e-01 4.96 -1.111606980e-01 -1.111606980e-01 4.98 -1.066549709e-01 -1.066549709e-01 5.00 -1.023165170e-01 -1.023165170e-01 5.02 -9.814212902e-02 -9.814212902e-02 5.04 -9.412976851e-02 -9.412976851e-02 5.06 -9.027803691e-02 -9.027803691e-02 5.08 -8.658563787e-02 -8.658563787e-02 5.10 -8.305031797e-02 -8.305031797e-02 5.12 -7.966992562e-02 -7.966992562e-02 5.14 -7.644167150e-02 -7.644167150e-02 5.16 -7.336157111e-02 -7.336157111e-02 5.18 -7.042447481e-02 -7.042447481e-02 5.20 -6.762419726e-02 -6.762419726e-02 5.22 -6.495371576e-02 -6.495371576e-02 5.24 -6.240540525e-02 -6.240540525e-02 5.26 -5.997128147e-02 -5.997128147e-02 5.28 -5.764322950e-02 -5.764322950e-02 5.30 -5.541320282e-02 -5.541320282e-02 5.32 -5.327338476e-02 -5.327338476e-02 5.34 -5.121630995e-02 -5.121630995e-02 5.36 -4.923494751e-02 -4.923494751e-02 5.38 -4.732275021e-02 -4.732275021e-02 5.40 -4.547367521e-02 -4.547367521e-02 5.42 -4.368218261e-02 -4.368218261e-02 5.44 -4.194321798e-02 -4.194321798e-02 5.46 -4.025218527e-02 -4.025218527e-02 5.48 -3.860491607e-02 -3.860491607e-02 5.50 -3.699764093e-02 -3.699764093e-02 5.52 -3.542696805e-02 -3.542696805e-02 5.54 -3.388987354e-02 -3.388987354e-02 5.56 -3.238370632e-02 -3.238370632e-02 5.58 -3.090620866e-02 -3.090620866e-02 5.60 -2.945555151e-02 -2.945555151e-02 5.62 -2.803038110e-02 -2.803038110e-02 5.64 -2.662987143e-02 -2.662987143e-02 5.66 -2.525377495e-02 -2.525377495e-02 5.68 -2.390246292e-02 -2.390246292e-02 5.70 -2.257694571e-02 -2.257694571e-02 5.72 -2.127886539e-02 -2.127886539e-02 5.74 -2.001045350e-02 -2.001045350e-02 5.76 -1.877445031e-02 -1.877445031e-02 5.78 -1.757398592e-02 -1.757398592e-02 5.80 -1.641242784e-02 -1.641242784e-02 5.82 -1.529320427e-02 -1.529320427e-02 5.84 -1.421961554e-02 -1.421961554e-02 5.86 -1.319464877e-02 -1.319464877e-02 5.88 -1.222078534e-02 -1.222078534e-02 5.90 -1.129980314e-02 -1.129980314e-02 5.92 -1.043292211e-02 -1.043292211e-02 5.94 -9.620616498e-03 -9.620616498e-03 5.96 -8.862591638e-03 -8.862591638e-03 5.98 -8.157828331e-03 -8.157828331e-03 6.00 -7.504662386e-03 -7.504662386e-03