# 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 = AgTaZr2 # 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 3.947828166e+02 3.947828166e+02 1.30 3.671935600e+02 3.671935600e+02 1.32 3.415940143e+02 3.415940143e+02 1.34 3.178282212e+02 3.178282212e+02 1.36 2.957536687e+02 2.957536687e+02 1.38 2.752405581e+02 2.752405581e+02 1.40 2.561707674e+02 2.561707674e+02 1.42 2.384362362e+02 2.384362362e+02 1.44 2.219372471e+02 2.219372471e+02 1.46 2.065811405e+02 2.065811405e+02 1.48 1.922816422e+02 1.922816422e+02 1.50 1.789585900e+02 1.789585900e+02 1.52 1.665378690e+02 1.665378690e+02 1.54 1.549513431e+02 1.549513431e+02 1.56 1.441368527e+02 1.441368527e+02 1.58 1.340381556e+02 1.340381556e+02 1.60 1.246045840e+02 1.246045840e+02 1.62 1.157903081e+02 1.157903081e+02 1.64 1.075535076e+02 1.075535076e+02 1.66 9.985566557e+01 9.985566557e+01 1.68 9.266113404e+01 9.266113404e+01 1.70 8.593695765e+01 8.593695765e+01 1.72 7.965266767e+01 7.965266767e+01 1.74 7.378000513e+01 7.378000513e+01 1.76 6.829257663e+01 6.829257663e+01 1.78 6.316557466e+01 6.316557466e+01 1.80 5.837556318e+01 5.837556318e+01 1.82 5.390035092e+01 5.390035092e+01 1.84 4.971888175e+01 4.971888175e+01 1.86 4.581129156e+01 4.581129156e+01 1.88 4.215898904e+01 4.215898904e+01 1.90 3.874472474e+01 3.874472474e+01 1.92 3.555256029e+01 3.555256029e+01 1.94 3.256774631e+01 3.256774631e+01 1.96 2.977657191e+01 2.977657191e+01 1.98 2.716631539e+01 2.716631539e+01 2.00 2.472697072e+01 2.472697072e+01 2.02 2.245048347e+01 2.245048347e+01 2.04 2.032656365e+01 2.032656365e+01 2.06 1.834616866e+01 1.834616866e+01 2.08 1.650009555e+01 1.650009555e+01 2.10 1.477958803e+01 1.477958803e+01 2.12 1.317644127e+01 1.317644127e+01 2.14 1.168298287e+01 1.168298287e+01 2.16 1.029207387e+01 1.029207387e+01 2.18 8.997088978e+00 8.997088978e+00 2.20 7.791890156e+00 7.791890156e+00 2.22 6.670760285e+00 6.670760285e+00 2.24 5.628350155e+00 5.628350155e+00 2.26 4.659645657e+00 4.659645657e+00 2.28 3.759939619e+00 3.759939619e+00 2.30 2.924847349e+00 2.924847349e+00 2.32 2.150259516e+00 2.150259516e+00 2.34 1.432339482e+00 1.432339482e+00 2.36 7.674722774e-01 7.674722774e-01 2.38 1.522395550e-01 1.522395550e-01 2.40 -4.166004239e-01 -4.166004239e-01 2.42 -9.421317018e-01 -9.421317018e-01 2.44 -1.427280352e+00 -1.427280352e+00 2.46 -1.874822931e+00 -1.874822931e+00 2.48 -2.287380890e+00 -2.287380890e+00 2.50 -2.667412140e+00 -2.667412140e+00 2.52 -3.017201934e+00 -3.017201934e+00 2.54 -3.338857048e+00 -3.338857048e+00 2.56 -3.634305803e+00 -3.634305803e+00 2.58 -3.905305273e+00 -3.905305273e+00 2.60 -4.153455778e+00 -4.153455778e+00 2.62 -4.380217609e+00 -4.380217609e+00 2.64 -4.586944944e+00 -4.586944944e+00 2.66 -4.774883876e+00 -4.774883876e+00 2.68 -4.945202082e+00 -4.945202082e+00 2.70 -5.098995429e+00 -5.098995429e+00 2.72 -5.237295605e+00 -5.237295605e+00 2.74 -5.361075083e+00 -5.361075083e+00 2.76 -5.471249580e+00 -5.471249580e+00 2.78 -5.568676084e+00 -5.568676084e+00 2.80 -5.654122094e+00 -5.654122094e+00 2.82 -5.728341025e+00 -5.728341025e+00 2.84 -5.792162936e+00 -5.792162936e+00 2.86 -5.846185789e+00 -5.846185789e+00 2.88 -5.890970318e+00 -5.890970318e+00 2.90 -5.927056938e+00 -5.927056938e+00 2.92 -5.954967830e+00 -5.954967830e+00 2.94 -5.975208411e+00 -5.975208411e+00 2.96 -5.988267903e+00 -5.988267903e+00 2.98 -5.994618808e+00 -5.994618808e+00 3.00 -5.994634875e+00 -5.994634875e+00 3.02 -5.988399952e+00 -5.988399952e+00 3.04 -5.975968763e+00 -5.975968763e+00 3.06 -5.957454817e+00 -5.957454817e+00 3.08 -5.932996724e+00 -5.932996724e+00 3.10 -5.902765130e+00 -5.902765130e+00 3.12 -5.866948211e+00 -5.866948211e+00 3.14 -5.825762641e+00 -5.825762641e+00 3.16 -5.779427034e+00 -5.779427034e+00 3.18 -5.728178572e+00 -5.728178572e+00 3.20 -5.672268911e+00 -5.672268911e+00 3.22 -5.611965966e+00 -5.611965966e+00 3.24 -5.547556650e+00 -5.547556650e+00 3.26 -5.479349745e+00 -5.479349745e+00 3.28 -5.407677331e+00 -5.407677331e+00 3.30 -5.332892794e+00 -5.332892794e+00 3.32 -5.255363940e+00 -5.255363940e+00 3.34 -5.175461196e+00 -5.175461196e+00 3.36 -5.093604703e+00 -5.093604703e+00 3.38 -5.010164585e+00 -5.010164585e+00 3.40 -4.925304874e+00 -4.925304874e+00 3.42 -4.839181517e+00 -4.839181517e+00 3.44 -4.751930468e+00 -4.751930468e+00 3.46 -4.663671171e+00 -4.663671171e+00 3.48 -4.574504303e+00 -4.574504303e+00 3.50 -4.484513153e+00 -4.484513153e+00 3.52 -4.393767939e+00 -4.393767939e+00 3.54 -4.302331792e+00 -4.302331792e+00 3.56 -4.210257273e+00 -4.210257273e+00 3.58 -4.117588910e+00 -4.117588910e+00 3.60 -4.024367257e+00 -4.024367257e+00 3.62 -3.930633168e+00 -3.930633168e+00 3.64 -3.836432321e+00 -3.836432321e+00 3.66 -3.741819991e+00 -3.741819991e+00 3.68 -3.646865981e+00 -3.646865981e+00 3.70 -3.551659513e+00 -3.551659513e+00 3.72 -3.456313813e+00 -3.456313813e+00 3.74 -3.360970018e+00 -3.360970018e+00 3.76 -3.265799951e+00 -3.265799951e+00 3.78 -3.171007269e+00 -3.171007269e+00 3.80 -3.076826442e+00 -3.076826442e+00 3.82 -2.983519107e+00 -2.983519107e+00 3.84 -2.891367489e+00 -2.891367489e+00 3.86 -2.800664893e+00 -2.800664893e+00 3.88 -2.711703739e+00 -2.711703739e+00 3.90 -2.624762120e+00 -2.624762120e+00 3.92 -2.540086900e+00 -2.540086900e+00 3.94 -2.457896152e+00 -2.457896152e+00 3.96 -2.378347779e+00 -2.378347779e+00 3.98 -2.301550766e+00 -2.301550766e+00 4.00 -2.227560606e+00 -2.227560606e+00 4.02 -2.156382878e+00 -2.156382878e+00 4.04 -2.087979736e+00 -2.087979736e+00 4.06 -2.022278134e+00 -2.022278134e+00 4.08 -1.959178622e+00 -1.959178622e+00 4.10 -1.898555447e+00 -1.898555447e+00 4.12 -1.840299205e+00 -1.840299205e+00 4.14 -1.784267826e+00 -1.784267826e+00 4.16 -1.730330518e+00 -1.730330518e+00 4.18 -1.678361177e+00 -1.678361177e+00 4.20 -1.628241012e+00 -1.628241012e+00 4.22 -1.579860226e+00 -1.579860226e+00 4.24 -1.533118909e+00 -1.533118909e+00 4.26 -1.487927292e+00 -1.487927292e+00 4.28 -1.444205488e+00 -1.444205488e+00 4.30 -1.401882826e+00 -1.401882826e+00 4.32 -1.360896885e+00 -1.360896885e+00 4.34 -1.321192322e+00 -1.321192322e+00 4.36 -1.282719589e+00 -1.282719589e+00 4.38 -1.245433648e+00 -1.245433648e+00 4.40 -1.209292758e+00 -1.209292758e+00 4.42 -1.174257432e+00 -1.174257432e+00 4.44 -1.140289602e+00 -1.140289602e+00 4.46 -1.107352026e+00 -1.107352026e+00 4.48 -1.075407917e+00 -1.075407917e+00 4.50 -1.044420793e+00 -1.044420793e+00 4.52 -1.014354468e+00 -1.014354468e+00 4.54 -9.851731652e-01 -9.851731652e-01 4.56 -9.568416811e-01 -9.568416811e-01 4.58 -9.293255752e-01 -9.293255752e-01 4.60 -9.025913508e-01 -9.025913508e-01 4.62 -8.766066119e-01 -8.766066119e-01 4.64 -8.513401908e-01 -8.513401908e-01 4.66 -8.267622461e-01 -8.267622461e-01 4.68 -8.028443389e-01 -8.028443389e-01 4.70 -7.795594934e-01 -7.795594934e-01 4.72 -7.568822524e-01 -7.568822524e-01 4.74 -7.347887323e-01 -7.347887323e-01 4.76 -7.132566849e-01 -7.132566849e-01 4.78 -6.922655650e-01 -6.922655650e-01 4.80 -6.717904451e-01 -6.717904451e-01 4.82 -6.518277645e-01 -6.518277645e-01 4.84 -6.323551305e-01 -6.323551305e-01 4.86 -6.133595127e-01 -6.133595127e-01 4.88 -5.948298242e-01 -5.948298242e-01 4.90 -5.767568681e-01 -5.767568681e-01 4.92 -5.591332162e-01 -5.591332162e-01 4.94 -5.419530075e-01 -5.419530075e-01 4.96 -5.252116636e-01 -5.252116636e-01 4.98 -5.089055250e-01 -5.089055250e-01 5.00 -4.930314235e-01 -4.930314235e-01 5.02 -4.775862147e-01 -4.775862147e-01 5.04 -4.625663050e-01 -4.625663050e-01 5.06 -4.479672073e-01 -4.479672073e-01 5.08 -4.337831652e-01 -4.337831652e-01 5.10 -4.200068748e-01 -4.200068748e-01 5.12 -4.066293285e-01 -4.066293285e-01 5.14 -3.936397910e-01 -3.936397910e-01 5.16 -3.810259078e-01 -3.810259078e-01 5.18 -3.687739345e-01 -3.687739345e-01 5.20 -3.568690682e-01 -3.568690682e-01 5.22 -3.452958582e-01 -3.452958582e-01 5.24 -3.340386700e-01 -3.340386700e-01 5.26 -3.230821784e-01 -3.230821784e-01 5.28 -3.124118648e-01 -3.124118648e-01 5.30 -3.020144961e-01 -3.020144961e-01 5.32 -2.918785630e-01 -2.918785630e-01 5.34 -2.819946532e-01 -2.819946532e-01 5.36 -2.723557358e-01 -2.723557358e-01 5.38 -2.629573330e-01 -2.629573330e-01 5.40 -2.537975556e-01 -2.537975556e-01 5.42 -2.448769850e-01 -2.448769850e-01 5.44 -2.361983945e-01 -2.361983945e-01 5.46 -2.277663134e-01 -2.277663134e-01 5.48 -2.195864566e-01 -2.195864566e-01 5.50 -2.116650553e-01 -2.116650553e-01 5.52 -2.040081444e-01 -2.040081444e-01 5.54 -1.966208631e-01 -1.966208631e-01 5.56 -1.895068312e-01 -1.895068312e-01 5.58 -1.826676510e-01 -1.826676510e-01 5.60 -1.761024412e-01 -1.761024412e-01 5.62 -1.698076815e-01 -1.698076815e-01 5.64 -1.637778449e-01 -1.637778449e-01 5.66 -1.580050298e-01 -1.580050298e-01 5.68 -1.524792278e-01 -1.524792278e-01 5.70 -1.471887037e-01 -1.471887037e-01 5.72 -1.421204059e-01 -1.421204059e-01 5.74 -1.372603747e-01 -1.372603747e-01 5.76 -1.325941194e-01 -1.325941194e-01 5.78 -1.281069465e-01 -1.281069465e-01 5.80 -1.237842302e-01 -1.237842302e-01 5.82 -1.196116251e-01 -1.196116251e-01 5.84 -1.155752219e-01 -1.155752219e-01 5.86 -1.116616575e-01 -1.116616575e-01 5.88 -1.078581859e-01 -1.078581859e-01 5.90 -1.041527216e-01 -1.041527216e-01 5.92 -1.005338646e-01 -1.005338646e-01 5.94 -9.699091687e-02 -9.699091687e-02 5.96 -9.351389685e-02 -9.351389685e-02 5.98 -9.009356016e-02 -9.009356016e-02 6.00 -8.672143057e-02 -8.672143057e-02