# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2014--Bonny-G-Grigorev-P-Terentyev-D--W-H-He-1 # implementation = 2014--Bonny-G--W-H-He-1--LAMMPS--ipr1 # composition = HHeW2 # 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 2022-05-24 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 1.855635941e+02 1.855635941e+02 1.00 1.724552910e+02 1.724552910e+02 1.02 1.602531363e+02 1.602531363e+02 1.04 1.491460765e+02 1.491460765e+02 1.06 1.387514962e+02 1.387514962e+02 1.08 1.289418462e+02 1.289418462e+02 1.10 1.197422873e+02 1.197422873e+02 1.12 1.111309603e+02 1.111309603e+02 1.14 1.030618176e+02 1.030618176e+02 1.16 9.550639913e+01 9.550639913e+01 1.18 8.837201576e+01 8.837201576e+01 1.20 8.163680920e+01 8.163680920e+01 1.22 7.531414336e+01 7.531414336e+01 1.24 6.941467418e+01 6.941467418e+01 1.26 6.397709124e+01 6.397709124e+01 1.28 5.894658392e+01 5.894658392e+01 1.30 5.427834218e+01 5.427834218e+01 1.32 4.999488659e+01 4.999488659e+01 1.34 4.608205279e+01 4.608205279e+01 1.36 4.245137980e+01 4.245137980e+01 1.38 3.905155793e+01 3.905155793e+01 1.40 3.586661981e+01 3.586661981e+01 1.42 3.288249816e+01 3.288249816e+01 1.44 3.008001142e+01 3.008001142e+01 1.46 2.745256897e+01 2.745256897e+01 1.48 2.499546600e+01 2.499546600e+01 1.50 2.269213603e+01 2.269213603e+01 1.52 2.051525206e+01 2.051525206e+01 1.54 1.845737570e+01 1.845737570e+01 1.56 1.651872218e+01 1.651872218e+01 1.58 1.469963714e+01 1.469963714e+01 1.60 1.301604477e+01 1.301604477e+01 1.62 1.152130770e+01 1.152130770e+01 1.64 1.021671639e+01 1.021671639e+01 1.66 9.043327764e+00 9.043327764e+00 1.68 7.963327007e+00 7.963327007e+00 1.70 6.962803891e+00 6.962803891e+00 1.72 6.031731366e+00 6.031731366e+00 1.74 5.161397619e+00 5.161397619e+00 1.76 4.363443179e+00 4.363443179e+00 1.78 3.643432630e+00 3.643432630e+00 1.80 2.998453082e+00 2.998453082e+00 1.82 2.424487350e+00 2.424487350e+00 1.84 1.913952664e+00 1.913952664e+00 1.86 1.458733015e+00 1.458733015e+00 1.88 1.051012101e+00 1.051012101e+00 1.90 6.829402747e-01 6.829402747e-01 1.92 3.487091941e-01 3.487091941e-01 1.94 4.373134657e-02 4.373134657e-02 1.96 -2.356962274e-01 -2.356962274e-01 1.98 -4.887331586e-01 -4.887331586e-01 2.00 -7.158339144e-01 -7.158339144e-01 2.02 -9.190188325e-01 -9.190188325e-01 2.04 -1.099531499e+00 -1.099531499e+00 2.06 -1.258611480e+00 -1.258611480e+00 2.08 -1.397946046e+00 -1.397946046e+00 2.10 -1.519310731e+00 -1.519310731e+00 2.12 -1.628108542e+00 -1.628108542e+00 2.14 -1.731938949e+00 -1.731938949e+00 2.16 -1.833483356e+00 -1.833483356e+00 2.18 -1.934434681e+00 -1.934434681e+00 2.20 -2.035092704e+00 -2.035092704e+00 2.22 -2.135266899e+00 -2.135266899e+00 2.24 -2.233680670e+00 -2.233680670e+00 2.26 -2.322195493e+00 -2.322195493e+00 2.28 -2.390582248e+00 -2.390582248e+00 2.30 -2.433484867e+00 -2.433484867e+00 2.32 -2.458894899e+00 -2.458894899e+00 2.34 -2.477032131e+00 -2.477032131e+00 2.36 -2.494682650e+00 -2.494682650e+00 2.38 -2.513455129e+00 -2.513455129e+00 2.40 -2.533533684e+00 -2.533533684e+00 2.42 -2.554680903e+00 -2.554680903e+00 2.44 -2.576659857e+00 -2.576659857e+00 2.46 -2.599175271e+00 -2.599175271e+00 2.48 -2.621150275e+00 -2.621150275e+00 2.50 -2.641051198e+00 -2.641051198e+00 2.52 -2.657908900e+00 -2.657908900e+00 2.54 -2.670952530e+00 -2.670952530e+00 2.56 -2.679442179e+00 -2.679442179e+00 2.58 -2.683162598e+00 -2.683162598e+00 2.60 -2.682363543e+00 -2.682363543e+00 2.62 -2.676878754e+00 -2.676878754e+00 2.64 -2.666471687e+00 -2.666471687e+00 2.66 -2.650885605e+00 -2.650885605e+00 2.68 -2.629847727e+00 -2.629847727e+00 2.70 -2.603168665e+00 -2.603168665e+00 2.72 -2.571072273e+00 -2.571072273e+00 2.74 -2.534685674e+00 -2.534685674e+00 2.76 -2.494866814e+00 -2.494866814e+00 2.78 -2.451952065e+00 -2.451952065e+00 2.80 -2.406248367e+00 -2.406248367e+00 2.82 -2.358056044e+00 -2.358056044e+00 2.84 -2.307667977e+00 -2.307667977e+00 2.86 -2.255368751e+00 -2.255368751e+00 2.88 -2.201433802e+00 -2.201433802e+00 2.90 -2.146232370e+00 -2.146232370e+00 2.92 -2.090463233e+00 -2.090463233e+00 2.94 -2.034882821e+00 -2.034882821e+00 2.96 -1.980234439e+00 -1.980234439e+00 2.98 -1.927247073e+00 -1.927247073e+00 3.00 -1.876633738e+00 -1.876633738e+00 3.02 -1.828830116e+00 -1.828830116e+00 3.04 -1.783551152e+00 -1.783551152e+00 3.06 -1.740404742e+00 -1.740404742e+00 3.08 -1.698939738e+00 -1.698939738e+00 3.10 -1.658661343e+00 -1.658661343e+00 3.12 -1.619074903e+00 -1.619074903e+00 3.14 -1.579798130e+00 -1.579798130e+00 3.16 -1.540730043e+00 -1.540730043e+00 3.18 -1.501813292e+00 -1.501813292e+00 3.20 -1.462990820e+00 -1.462990820e+00 3.22 -1.424205864e+00 -1.424205864e+00 3.24 -1.385401946e+00 -1.385401946e+00 3.26 -1.346522896e+00 -1.346522896e+00 3.28 -1.307512607e+00 -1.307512607e+00 3.30 -1.268307293e+00 -1.268307293e+00 3.32 -1.228871451e+00 -1.228871451e+00 3.34 -1.189721943e+00 -1.189721943e+00 3.36 -1.151638221e+00 -1.151638221e+00 3.38 -1.114767661e+00 -1.114767661e+00 3.40 -1.079012356e+00 -1.079012356e+00 3.42 -1.044273710e+00 -1.044273710e+00 3.44 -1.010453524e+00 -1.010453524e+00 3.46 -9.774538604e-01 -9.774538604e-01 3.48 -9.451771538e-01 -9.451771538e-01 3.50 -9.135262960e-01 -9.135262960e-01 3.52 -8.824000435e-01 -8.824000435e-01 3.54 -8.516798964e-01 -8.516798964e-01 3.56 -8.212435993e-01 -8.212435993e-01 3.58 -7.909692064e-01 -7.909692064e-01 3.60 -7.607354355e-01 -7.607354355e-01 3.62 -7.304200405e-01 -7.304200405e-01 3.64 -6.999464116e-01 -6.999464116e-01 3.66 -6.693292787e-01 -6.693292787e-01 3.68 -6.386033641e-01 -6.386033641e-01 3.70 -6.078768345e-01 -6.078768345e-01 3.72 -5.770006762e-01 -5.770006762e-01 3.74 -5.461329835e-01 -5.461329835e-01 3.76 -5.155053021e-01 -5.155053021e-01 3.78 -4.856288244e-01 -4.856288244e-01 3.80 -4.544874149e-01 -4.544874149e-01 3.82 -4.213556871e-01 -4.213556871e-01 3.84 -3.920844727e-01 -3.920844727e-01 3.86 -3.675326542e-01 -3.675326542e-01 3.88 -3.420682466e-01 -3.420682466e-01 3.90 -3.129607366e-01 -3.129607366e-01 3.92 -2.808867280e-01 -2.808867280e-01 3.94 -2.454827958e-01 -2.454827958e-01 3.96 -2.073195694e-01 -2.073195694e-01 3.98 -1.667615382e-01 -1.667615382e-01 4.00 -1.263380940e-01 -1.263380940e-01 4.02 -8.915692438e-02 -8.915692438e-02 4.04 -5.665210983e-02 -5.665210983e-02 4.06 -2.923035655e-02 -2.923035655e-02 4.08 -6.716389210e-03 -6.716389210e-03 4.10 1.131914029e-02 1.131914029e-02 4.12 2.537783654e-02 2.537783654e-02 4.14 3.598038614e-02 3.598038614e-02 4.16 4.362402722e-02 4.362402722e-02 4.18 4.876915040e-02 4.876915040e-02 4.20 5.184283011e-02 5.184283011e-02 4.22 5.324918694e-02 5.324918694e-02 4.24 5.338023934e-02 5.338023934e-02 4.26 5.261633367e-02 5.261633367e-02 4.28 5.116072783e-02 5.116072783e-02 4.30 4.911511068e-02 4.911511068e-02 4.32 4.658071023e-02 4.658071023e-02 4.34 4.365875453e-02 4.365875453e-02 4.36 4.045047159e-02 4.045047159e-02 4.38 3.705708945e-02 3.705708945e-02 4.40 3.357983613e-02 3.357983613e-02 4.42 3.011706001e-02 3.011706001e-02 4.44 2.672521705e-02 2.672521705e-02 4.46 2.342911527e-02 2.342911527e-02 4.48 2.025278253e-02 2.025278253e-02 4.50 1.722024670e-02 1.722024670e-02 4.52 1.435553566e-02 1.435553566e-02 4.54 1.168267728e-02 1.168267728e-02 4.56 9.225699419e-03 9.225699419e-03 4.58 7.008629957e-03 7.008629957e-03 4.60 5.055496764e-03 5.055496764e-03 4.62 3.390327710e-03 3.390327710e-03 4.64 2.037300505e-03 2.037300505e-03 4.66 1.022490680e-03 1.022490680e-03 4.68 3.732466179e-04 3.732466179e-04 4.70 7.697494390e-05 7.697494390e-05 4.72 2.236412337e-06 2.236412337e-06 4.74 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00