# 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 = AgAl3 # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 1.266825937e+02 nan nan 1.16 1.171759971e+02 nan nan 1.18 1.084030190e+02 nan nan 1.20 1.002990174e+02 nan nan 1.22 9.280449433e+01 nan nan 1.24 8.586565283e+01 nan nan 1.26 7.943534845e+01 nan nan 1.28 7.347234987e+01 1.109949707e+02 1.263959752e+02 1.30 6.793984790e+01 1.033294774e+02 1.178742696e+02 1.32 6.280457038e+01 9.619658327e+01 1.099430363e+02 1.34 5.803613752e+01 8.955586473e+01 1.025569898e+02 1.36 5.360629337e+01 8.336997560e+01 9.567406765e+01 1.38 4.948863976e+01 7.760504214e+01 8.925438790e+01 1.40 4.565917792e+01 7.223025243e+01 8.326015424e+01 1.42 4.209682959e+01 6.721687828e+01 7.765698185e+01 1.44 3.878299261e+01 6.253734553e+01 7.241531340e+01 1.46 3.570098260e+01 5.816505058e+01 6.751041176e+01 1.48 3.283570161e+01 5.407525465e+01 6.292096162e+01 1.50 3.017546898e+01 5.024639491e+01 5.862734228e+01 1.52 2.770416256e+01 4.666061011e+01 5.461045403e+01 1.54 2.540622629e+01 4.330302471e+01 5.085141767e+01 1.56 2.326816956e+01 4.016043694e+01 4.733190095e+01 1.58 2.127835718e+01 3.722031228e+01 4.403455804e+01 1.60 1.942647234e+01 3.447120981e+01 4.094328146e+01 1.62 1.770302269e+01 3.190286102e+01 3.804325112e+01 1.64 1.609911348e+01 2.950657748e+01 3.532135611e+01 1.66 1.460650172e+01 2.726995568e+01 3.276680895e+01 1.68 1.321776248e+01 2.518088387e+01 3.037245977e+01 1.70 1.192635002e+01 2.322812943e+01 2.812799801e+01 1.72 1.072645343e+01 2.140156375e+01 2.602375163e+01 1.74 9.612704102e+00 1.969215429e+01 2.405138008e+01 1.76 8.579867630e+00 1.809175778e+01 2.220356369e+01 1.78 7.622632133e+00 1.659291342e+01 2.047358208e+01 1.80 6.735533403e+00 1.518878563e+01 1.885496939e+01 1.82 5.912996434e+00 1.387322574e+01 1.734130782e+01 1.84 5.149463178e+00 1.264081257e+01 1.592611526e+01 1.86 4.439595414e+00 1.148677599e+01 1.460278400e+01 1.88 3.778526281e+00 1.040680993e+01 1.336459989e+01 1.90 3.162081451e+00 9.396842288e+00 1.220491029e+01 1.92 2.586875118e+00 8.452835844e+00 1.111744175e+01 1.94 2.050247241e+00 7.570682257e+00 1.009663771e+01 1.96 1.550093972e+00 6.746223569e+00 9.137833932e+00 1.98 1.084679790e+00 5.975388075e+00 8.237189289e+00 2.00 6.524946480e-01 5.254377900e+00 7.391445368e+00 2.02 2.521715661e-01 4.579826320e+00 6.597661626e+00 2.04 -1.175547366e-01 3.948860298e+00 5.853037591e+00 2.06 -4.578797370e-01 3.359046436e+00 5.154854339e+00 2.08 -7.699762236e-01 2.808249866e+00 4.500504804e+00 2.10 -1.055063412e+00 2.294469641e+00 3.887555847e+00 2.12 -1.314484389e+00 1.815711352e+00 3.313791846e+00 2.14 -1.549764899e+00 1.369927524e+00 2.777213956e+00 2.16 -1.762627776e+00 9.550243034e-01 2.275994392e+00 2.18 -1.954952132e+00 5.689141792e-01 1.808401274e+00 2.20 -2.128686381e+00 2.095884535e-01 1.372718151e+00 2.22 -2.285738501e+00 -1.248153837e-01 9.671866778e-01 2.24 -2.427871204e+00 -4.359685224e-01 5.899961462e-01 2.26 -2.556624327e+00 -7.253335341e-01 2.393264699e-01 2.28 -2.673275950e+00 -9.941699419e-01 -8.657560788e-02 2.30 -2.778842515e+00 -1.243552909e+00 -3.893243559e-01 2.32 -2.874109742e+00 -1.474397414e+00 -6.703584704e-01 2.34 -2.959681306e+00 -1.687484029e+00 -9.309476511e-01 2.36 -3.036031967e+00 -1.883486682e+00 -1.172228436e+00 2.38 -3.103555515e+00 -2.063003376e+00 -1.395249161e+00 2.40 -3.162603277e+00 -2.226590324e+00 -1.601010338e+00 2.42 -3.213512924e+00 -2.374797968e+00 -1.790496169e+00 2.44 -3.256628721e+00 -2.508205440e+00 -1.964697128e+00 2.46 -3.292888216e+00 -2.627449203e+00 -2.124622997e+00 2.48 -3.324378106e+00 -2.733242038e+00 -2.271303045e+00 2.50 -3.350866962e+00 -2.826381025e+00 -2.405769693e+00 2.52 -3.372029728e+00 -2.907746604e+00 -2.529025669e+00 2.54 -3.387633990e+00 -2.978297240e+00 -2.642001687e+00 2.56 -3.397518154e+00 -3.039062869e+00 -2.745516517e+00 2.58 -3.401586209e+00 -3.091134808e+00 -2.840251079e+00 2.60 -3.399820714e+00 -3.135644018e+00 -2.926742076e+00 2.62 -3.392313286e+00 -3.173719494e+00 -3.005393084e+00 2.64 -3.379329657e+00 -3.206427129e+00 -3.076496308e+00 2.66 -3.361319544e+00 -3.234888513e+00 -3.140257622e+00 2.68 -3.338924609e+00 -3.260960568e+00 -3.196820606e+00 2.70 -3.312753549e+00 -3.285720500e+00 -3.246288238e+00 2.72 -3.283445638e+00 -3.308751830e+00 -3.288743574e+00 2.74 -3.251635130e+00 -3.329623235e+00 -3.324271706e+00 2.76 -3.217900917e+00 -3.347936474e+00 -3.353841981e+00 2.78 -3.182734818e+00 -3.363337238e+00 -3.378680306e+00 2.80 -3.146529246e+00 -3.375522269e+00 -3.398465563e+00 2.82 -3.109579477e+00 -3.384241350e+00 -3.413032029e+00 2.84 -3.072095604e+00 -3.389296369e+00 -3.422401882e+00 2.86 -3.034222167e+00 -3.390544716e+00 -3.426782866e+00 2.88 -2.996050655e+00 -3.387932957e+00 -3.426549287e+00 2.90 -2.957632971e+00 -3.381456476e+00 -3.422203074e+00 2.92 -2.918995816e+00 -3.371064741e+00 -3.414318035e+00 2.94 -2.880151837e+00 -3.356754427e+00 -3.403486084e+00 2.96 -2.841107240e+00 -3.338579592e+00 -3.390303725e+00 2.98 -2.801866450e+00 -3.316662034e+00 -3.375299188e+00 3.00 -2.762434441e+00 -3.291201563e+00 -3.358749192e+00 3.02 -2.722817549e+00 -3.262482174e+00 -3.340821020e+00 3.04 -2.683023344e+00 -3.230869774e+00 -3.321598978e+00 3.06 -2.643059989e+00 -3.196798410e+00 -3.301106344e+00 3.08 -2.602935413e+00 -3.160744449e+00 -3.279328368e+00 3.10 -2.562656594e+00 -3.123193075e+00 -3.256232096e+00 3.12 -2.522229189e+00 -3.084603572e+00 -3.231781094e+00 3.14 -2.481657710e+00 -3.045374964e+00 -3.205944883e+00 3.16 -2.440946274e+00 -3.005824615e+00 -3.178704025e+00 3.18 -2.400099873e+00 -2.966180919e+00 -3.150053573e+00 3.20 -2.359125933e+00 -2.926587924e+00 -3.120001869e+00 3.22 -2.318035861e+00 -2.887118355e+00 -3.088566860e+00 3.24 -2.276846257e+00 -2.847790672e+00 -3.055773897e+00 3.26 -2.235579538e+00 -2.808586446e+00 -3.021653617e+00 3.28 -2.194263836e+00 -2.769465671e+00 -2.986240168e+00 3.30 -2.152932187e+00 -2.730378909e+00 -2.949570090e+00 3.32 -2.111621182e+00 -2.691276180e+00 -2.911682069e+00 3.34 -2.070369316e+00 -2.652113015e+00 -2.872617725e+00 3.36 -2.029215362e+00 -2.612854288e+00 -2.832423557e+00 3.38 -1.988196903e+00 -2.573476401e+00 -2.791154030e+00 3.40 -1.947349342e+00 -2.533968271e+00 -2.748875668e+00 3.42 -1.906705317e+00 -2.494331454e+00 -2.705671773e+00 3.44 -1.866294601e+00 -2.454579524e+00 -2.661647112e+00 3.46 -1.826144231e+00 -2.414736962e+00 -2.616931665e+00 3.48 -1.786278905e+00 -2.374837573e+00 -2.571682349e+00 3.50 -1.746721342e+00 -2.334922594e+00 -2.526081682e+00 3.52 -1.707492586e+00 -2.295038617e+00 -2.480332876e+00 3.54 -1.668612010e+00 -2.255235437e+00 -2.434651033e+00 3.56 -1.630097161e+00 -2.215563972e+00 -2.389251773e+00 3.58 -1.591963306e+00 -2.176074327e+00 -2.344338522e+00 3.60 -1.554222789e+00 -2.136814086e+00 -2.300090572e+00 3.62 -1.516884231e+00 -2.097826867e+00 -2.256653715e+00 3.64 -1.479951672e+00 -2.059151140e+00 -2.214134649e+00 3.66 -1.443423736e+00 -2.020819328e+00 -2.172599519e+00 3.68 -1.407292872e+00 -1.982857152e+00 -2.132076114e+00 3.70 -1.371544758e+00 -1.945283213e+00 -2.092558718e+00 3.72 -1.336157919e+00 -1.908108802e+00 -2.054014434e+00 3.74 -1.301103606e+00 -1.871337919e+00 -2.016389918e+00 3.76 -1.266346012e+00 -1.834967501e+00 -1.979617744e+00 3.78 -1.231842859e+00 -1.798987844e+00 -1.943621975e+00 3.80 -1.197546460e+00 -1.763383219e+00 -1.908322772e+00 3.82 -1.163405302e+00 -1.728132658e+00 -1.873640110e+00 3.84 -1.129366222e+00 -1.693210877e+00 -1.839496694e+00 3.86 -1.095377239e+00 -1.658589297e+00 -1.805820269e+00 3.88 -1.061391032e+00 -1.624237107e+00 -1.772545411e+00 3.90 -1.027368998e+00 -1.590122300e+00 -1.739614915e+00 3.92 -9.932857287e-01 -1.556212618e+00 -1.706980778e+00 3.94 -9.591336410e-01 -1.522476412e+00 -1.674604864e+00 3.96 -9.249272116e-01 -1.488883227e+00 -1.642459052e+00 3.98 -8.907064054e-01 -1.455404318e+00 -1.610525117e+00 4.00 -8.565385290e-01 -1.422012965e+00 -1.578794175e+00 4.02 -8.225179409e-01 -1.388684702e+00 -1.547265785e+00 4.04 -7.887631525e-01 -1.355397556e+00 -1.515946795e+00 4.06 -7.554111769e-01 -1.322132374e+00 -1.484849989e+00 4.08 -7.226094099e-01 -1.288873360e+00 -1.453992644e+00 4.10 -6.905057907e-01 -1.255608888e+00 -1.423395082e+00 4.12 -6.592383683e-01 -1.222332801e+00 -1.393079294e+00 4.14 -6.289255823e-01 -1.189045796e+00 -1.363067707e+00 4.16 -5.996584975e-01 -1.155757407e+00 -1.333382113e+00 4.18 -5.714959076e-01 -1.122487983e+00 -1.304042801e+00 4.20 -5.444627271e-01 -1.089270646e+00 -1.275067872e+00 4.22 -5.185517141e-01 -1.056152868e+00 -1.246472739e+00 4.24 -4.937277104e-01 -1.023197332e+00 -1.218269781e+00 4.26 -4.699340448e-01 -9.904817395e-01 -1.190468127e+00 4.28 -4.470999047e-01 -9.580972829e-01 -1.163073536e+00 4.30 -4.251479908e-01 -9.261456642e-01 -1.136088360e+00 4.32 -4.040017453e-01 -8.947347296e-01 -1.109511547e+00 4.34 -3.835916331e-01 -8.639730235e-01 -1.083338679e+00 4.36 -3.638601019e-01 -8.339637682e-01 -1.057562022e+00 4.38 -3.447650168e-01 -8.047989053e-01 -1.032170576e+00 4.40 -3.262813608e-01 -7.765538503e-01 -1.007150122e+00 4.42 -3.084012867e-01 -7.492835105e-01 -9.824832543e-01 4.44 -2.911325226e-01 -7.230199144e-01 -9.581494022e-01 4.46 -2.744953746e-01 -6.977715573e-01 -9.341248440e-01 4.48 -2.585186594e-01 -6.735243283e-01 -9.103827150e-01 4.50 -2.432350088e-01 -6.502437081e-01 -8.868930205e-01 4.52 -2.286760564e-01 -6.278778299e-01 -8.636226332e-01 4.54 -2.148680177e-01 -6.063609825e-01 -8.405354851e-01 4.56 -2.018280889e-01 -5.856171900e-01 -8.175924729e-01 4.58 -1.895619760e-01 -5.655635925e-01 -7.947517848e-01 4.60 -1.780626740e-01 -5.461134609e-01 -7.719691482e-01 4.62 -1.673104632e-01 -5.271787720e-01 -7.491982464e-01 4.64 -1.572739448e-01 -5.086723536e-01 -7.263913019e-01 4.66 -1.479118525e-01 -4.905096594e-01 -7.034998633e-01 4.68 -1.391753481e-01 -4.726102651e-01 -6.804758311e-01 4.70 -1.310105235e-01 -4.548991890e-01 -6.572727566e-01 4.72 -1.233608826e-01 -4.373081330e-01 -6.338474359e-01 4.74 -1.161696401e-01 -4.197767226e-01 -6.101618101e-01 4.76 -1.093817365e-01 -4.022537973e-01 -5.861851540e-01 4.78 -1.029455248e-01 -3.846987697e-01 -5.618965088e-01 4.80 -9.681411249e-02 -3.670830126e-01 -5.372872708e-01 4.82 -9.094638142e-02 -3.493913138e-01 -5.123638003e-01 4.84 -8.530769634e-02 -3.316230305e-01 -4.871498670e-01 4.86 -7.987018020e-02 -3.137931581e-01 -4.616887016e-01 4.88 -7.461299529e-02 -2.959328734e-01 -4.360443933e-01 4.90 -6.952260555e-02 -2.780894921e-01 -4.103023671e-01 4.92 -6.459186891e-02 -2.603256695e-01 -3.845687021e-01 4.94 -5.981943845e-02 -2.427177398e-01 -3.589681269e-01 4.96 -5.520892837e-02 -2.253531655e-01 -3.336406355e-01 4.98 -5.076786158e-02 -2.083271654e-01 -3.087368181e-01 5.00 -4.650647502e-02 -1.917386953e-01 -2.844121518e-01 5.02 -4.243645781e-02 -1.756860470e-01 -2.608206485e-01 5.04 -3.856970387e-02 -1.602624004e-01 -2.381083532e-01 5.06 -3.491716240e-02 -1.455516840e-01 -2.164072342e-01 5.08 -3.148788962e-02 -1.316250747e-01 -1.958299668e-01 5.10 -2.828832470e-02 -1.185383912e-01 -1.764660100e-01 5.12 -2.532182944e-02 -1.063305372e-01 -1.583792238e-01 5.14 -2.258849462e-02 -9.502302126e-02 -1.416070921e-01 5.16 -2.008488607e-02 -8.462049232e-02 -1.261614515e-01 5.18 -1.780461371e-02 -7.511210561e-02 -1.120304891e-01 5.20 -1.573937599e-02 -6.647350323e-02 -9.918168801e-02 5.22 -1.387865293e-02 -5.866917993e-02 -8.756536420e-02 5.24 -1.221025257e-02 -5.165500539e-02 -7.711845321e-02 5.26 -1.072086221e-02 -4.538072589e-02 -6.776828205e-02 5.28 -9.396554218e-03 -3.979226979e-02 -5.943604077e-02 5.30 -8.223224970e-03 -3.483374945e-02 -5.203985903e-02 5.32 -7.186956182e-03 -3.044875127e-02 -4.549736639e-02 5.34 -6.274296921e-03 -2.658268511e-02 -3.972779159e-02 5.36 -5.472470531e-03 -2.318339401e-02 -3.465353306e-02 5.38 -4.769514702e-03 -2.020112921e-02 -3.020126548e-02 5.40 -4.154364887e-03 -1.758998476e-02 -2.630203676e-02 5.42 -3.616891772e-03 -1.530794419e-02 -2.289298243e-02 5.44 -3.147903075e-03 -1.331656315e-02 -1.991698107e-02 5.46 -2.739118901e-03 -1.158100514e-02 -1.732243397e-02 5.48 -2.383128544e-03 -1.006995462e-02 -1.506297296e-02 5.50 -2.073335218e-03 -8.755447652e-03 -1.309706941e-02 5.52 -1.803893846e-03 -7.612651192e-03 -1.138776511e-02 5.54 -1.569645843e-03 -6.619614462e-03 -9.902331904e-03 5.56 -1.366053768e-03 -5.757009480e-03 -8.611946408e-03 5.58 -1.189137885e-03 -5.007872741e-03 -7.491264317e-03 5.60 -1.035416010e-03 -4.357356212e-03 -6.518097943e-03 5.62 -9.018474563e-04 -3.792492775e-03 -5.673062272e-03 5.64 -7.857815345e-04 -3.301979087e-03 -4.939254598e-03 5.66 -6.849107576e-04 -2.875977246e-03 -4.301960595e-03 5.68 -5.972287003e-04 -2.505935540e-03 -3.748387876e-03 5.70 -5.209923296e-04 -2.184427804e-03 -3.267426714e-03 5.72 -4.546885359e-04 -1.905010446e-03 -2.849436763e-03 5.74 -3.970045456e-04 -1.662095911e-03 -2.486058108e-03 5.76 -3.468018735e-04 -1.450841195e-03 -2.170044682e-03 5.78 -3.030934723e-04 -1.267050014e-03 -1.895117995e-03 5.80 -2.650237438e-04 -1.107087204e-03 -1.655839125e-03 5.82 -2.318510972e-04 -9.678040314e-04 -1.447496986e-03 5.84 -2.029327579e-04 -8.464731589e-04 -1.266011031e-03 5.86 -1.777115613e-04 -7.407321130e-04 -1.107846662e-03 5.88 -1.557044846e-04 -6.485342218e-04 -9.699418180e-04 5.90 -1.364927015e-04 -5.681060791e-04 -8.496433242e-04 5.92 -1.197129636e-04 -4.979107041e-04 -7.446517597e-04 5.94 -1.050501369e-04 -4.366156559e-04 -6.529737457e-04 5.96 -9.223074269e-05 -3.830654537e-04 -5.728806732e-04 5.98 -8.101736910e-05 -3.362577302e-04 -5.028730191e-04 6.00 -7.120383750e-05 -2.953226189e-04 -4.416495022e-04