# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Au # implementation = 2004--Zhou-X-W--Au--LAMMPS--ipr2 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r Au Au 0.02 1.441663732e+04 0.04 7.218638601e+03 0.06 4.819305693e+03 0.08 3.619639239e+03 0.10 2.899839367e+03 0.12 2.419972785e+03 0.14 2.077210941e+03 0.16 1.820139558e+03 0.18 1.620195149e+03 0.20 1.460239622e+03 0.22 1.329366918e+03 0.24 1.220306331e+03 0.26 1.128024297e+03 0.28 1.048925410e+03 0.30 9.803730407e+02 0.32 9.203897180e+02 0.34 8.674632568e+02 0.36 8.204175135e+02 0.38 7.783239537e+02 0.40 7.404397499e+02 0.42 7.061635655e+02 0.44 6.750033979e+02 0.46 6.465528100e+02 0.48 6.204731045e+02 0.50 5.963837121e+02 0.52 5.572119838e+02 0.54 5.204614794e+02 0.56 4.860683069e+02 0.58 4.538826559e+02 0.60 4.237642165e+02 0.62 3.955815776e+02 0.64 3.692116615e+02 0.66 3.445391956e+02 0.68 3.214562176e+02 0.70 2.998616110e+02 0.72 2.796606715e+02 0.74 2.607647003e+02 0.76 2.430906228e+02 0.78 2.265606322e+02 0.80 2.111018554e+02 0.82 1.966460402e+02 0.84 1.831292622e+02 0.86 1.704916507e+02 0.88 1.586771313e+02 0.90 1.476331857e+02 0.92 1.373106259e+02 0.94 1.276633835e+02 0.96 1.186483118e+02 0.98 1.102250005e+02 1.00 1.023556027e+02 1.02 9.500467235e+01 1.04 8.813901188e+01 1.06 8.172753011e+01 1.08 7.574110868e+01 1.10 7.015247708e+01 1.12 6.493609566e+01 1.14 6.006804598e+01 1.16 5.552592816e+01 1.18 5.128876472e+01 1.20 4.733691050e+01 1.22 4.365196833e+01 1.24 4.021670998e+01 1.26 3.701500218e+01 1.28 3.403173727e+01 1.30 3.125276829e+01 1.32 2.866484818e+01 1.34 2.625557277e+01 1.36 2.401305442e+01 1.38 2.192615634e+01 1.40 1.998520547e+01 1.42 1.818108407e+01 1.44 1.650518167e+01 1.46 1.494937238e+01 1.48 1.350599254e+01 1.50 1.216781883e+01 1.52 1.092804688e+01 1.54 9.780290139e+00 1.56 8.718576681e+00 1.58 7.737287327e+00 1.60 6.831131967e+00 1.62 5.995133154e+00 1.64 5.224610217e+00 1.66 4.515163907e+00 1.68 3.862661611e+00 1.70 3.263223128e+00 1.72 2.713207015e+00 1.74 2.209197514e+00 1.76 1.747992033e+00 1.78 1.326589194e+00 1.80 9.421774353e-01 1.82 5.921241434e-01 1.84 2.739653175e-01 1.86 -1.460425944e-02 1.88 -2.757403536e-01 1.90 -5.114581360e-01 1.92 -7.236405770e-01 1.94 -9.140463971e-01 1.96 -1.084317593e+00 1.98 -1.235986553e+00 2.00 -1.370482785e+00 2.02 -1.489139270e+00 2.04 -1.593198457e+00 2.06 -1.683817920e+00 2.08 -1.762075694e+00 2.10 -1.828975297e+00 2.12 -1.885450466e+00 2.14 -1.932369615e+00 2.16 -1.970540025e+00 2.18 -2.000711789e+00 2.20 -2.023581521e+00 2.22 -2.039795837e+00 2.24 -2.049954635e+00 2.26 -2.054614162e+00 2.28 -2.054289901e+00 2.30 -2.049459282e+00 2.32 -2.040564216e+00 2.34 -2.028013483e+00 2.36 -2.012184958e+00 2.38 -1.993427707e+00 2.40 -1.972063945e+00 2.42 -1.948390874e+00 2.44 -1.922682397e+00 2.46 -1.895190732e+00 2.48 -1.866147911e+00 2.50 -1.835767193e+00 2.52 -1.804244377e+00 2.54 -1.771759036e+00 2.56 -1.738475665e+00 2.58 -1.704544755e+00 2.60 -1.670103801e+00 2.62 -1.635278236e+00 2.64 -1.600182309e+00 2.66 -1.564919900e+00 2.68 -1.529585285e+00 2.70 -1.494263846e+00 2.72 -1.459032731e+00 2.74 -1.423961479e+00 2.76 -1.389112593e+00 2.78 -1.354542074e+00 2.80 -1.320299928e+00 2.82 -1.286430625e+00 2.84 -1.252973538e+00 2.86 -1.219963344e+00 2.88 -1.187430399e+00 2.90 -1.155401089e+00 2.92 -1.123898155e+00 2.94 -1.092940991e+00 2.96 -1.062545929e+00 2.98 -1.032726497e+00 3.00 -1.003493662e+00 3.02 -9.748560496e-01 3.04 -9.468201603e-01 3.06 -9.193905552e-01 3.08 -8.925700382e-01 3.10 -8.663598202e-01 3.12 -8.407596729e-01 3.14 -8.157680701e-01 3.16 -7.913823187e-01 3.18 -7.675986793e-01 3.20 -7.444124780e-01 3.22 -7.218182086e-01 3.24 -6.998096270e-01 3.26 -6.783798378e-01 3.28 -6.575213730e-01 3.30 -6.372262645e-01 3.32 -6.174861095e-01 3.34 -5.982921291e-01 3.36 -5.796352217e-01 3.38 -5.615060097e-01 3.40 -5.438948805e-01 3.42 -5.267920216e-01 3.44 -5.101874507e-01 3.46 -4.940710394e-01 3.48 -4.784325318e-01 3.50 -4.632615574e-01 3.52 -4.485476394e-01 3.54 -4.342801976e-01 3.56 -4.204485473e-01 3.58 -4.070418951e-01 3.60 -3.940493322e-01 3.62 -3.814598272e-01 3.64 -3.692622208e-01 3.66 -3.574452243e-01 3.68 -3.459974250e-01 3.70 -3.349073017e-01 3.72 -3.241632520e-01 3.74 -3.137536362e-01 3.76 -3.036668351e-01 3.78 -2.938913257e-01 3.80 -2.844157689e-01 3.82 -2.752291076e-01 3.84 -2.663206676e-01 3.86 -2.576802536e-01 3.88 -2.492982335e-01 3.90 -2.411656024e-01 3.92 -2.332740198e-01 3.94 -2.256158186e-01 3.96 -2.181839837e-01 3.98 -2.109721039e-01 4.00 -2.039743026e-01 4.02 -1.971851536e-01 4.04 -1.905995895e-01 4.06 -1.842128111e-01 4.08 -1.780202019e-01 4.10 -1.720172529e-01 4.12 -1.661995010e-01 4.14 -1.605624797e-01 4.16 -1.551016842e-01 4.18 -1.498125480e-01 4.20 -1.446904290e-01 4.22 -1.397306041e-01 4.24 -1.349282689e-01 4.26 -1.302785413e-01 4.28 -1.257764671e-01 4.30 -1.214170269e-01 4.32 -1.171951418e-01 4.34 -1.131056796e-01 4.36 -1.091434585e-01 4.38 -1.053032507e-01 4.40 -1.015797838e-01 4.42 -9.796774153e-02 4.44 -9.446176404e-02 4.46 -9.105644772e-02 4.48 -8.774634547e-02 4.50 -8.452596906e-02 4.52 -8.138979375e-02 4.54 -7.833226660e-02 4.56 -7.534781999e-02 4.58 -7.243089185e-02 4.60 -6.957595458e-02 4.62 -6.677755440e-02 4.64 -6.403036321e-02 4.66 -6.132924492e-02 4.68 -5.866933774e-02 4.70 -5.604615351e-02 4.72 -5.345569435e-02 4.74 -5.089458507e-02 4.76 -4.836020985e-02 4.78 -4.585064167e-02 4.80 -4.336520877e-02 4.82 -4.090457653e-02 4.84 -3.847073472e-02 4.86 -3.606707119e-02 4.88 -3.369838780e-02 4.90 -3.137084383e-02 4.92 -2.909181595e-02 4.94 -2.686967039e-02 4.96 -2.471345146e-02 4.98 -2.263250072e-02 5.00 -2.063603041e-02 5.02 -1.873268271e-02 5.04 -1.693011012e-02 5.06 -1.523461177e-02 5.08 -1.365085482e-02 5.10 -1.218170070e-02 5.12 -1.082814427e-02 5.14 -9.589361652e-03 5.16 -8.462852429e-03 5.18 -7.444654423e-03 5.20 -6.529605750e-03 5.22 -5.711628846e-03 5.24 -4.984013984e-03 5.26 -4.339684431e-03 5.28 -3.771430832e-03 5.30 -3.272107691e-03 5.32 -2.834789405e-03 5.34 -2.452886846e-03 5.36 -2.120227942e-03 5.38 -1.831107111e-03 5.40 -1.580309035e-03 5.42 -1.363112210e-03 5.44 -1.175277334e-03 5.46 -1.013024948e-03 5.48 -8.730060006e-04 5.50 -7.522682947e-04 5.52 -6.482210875e-04 5.54 -5.585995269e-04 5.56 -4.814301185e-04 5.58 -4.149980180e-04 5.60 -3.578166352e-04 5.62 -3.085998048e-04 5.64 -2.662366084e-04 5.66 -2.297688155e-04 5.68 -1.983708307e-04 5.70 -1.713319844e-04 5.72 -1.480409790e-04 5.74 -1.279722885e-04 5.76 -1.106743129e-04 5.78 -9.575909234e-05 5.80 -8.289340040e-05 5.82 -7.179104749e-05 5.84 -6.220624249e-05 5.86 -5.392787589e-05 5.88 -4.677460253e-05 5.90 -4.059061628e-05 5.92 -3.524202221e-05 5.94 -3.061372355e-05 5.96 -2.660675186e-05 5.98 -2.313597795e-05 6.00 -2.012814976e-05 6.02 -1.752021063e-05 6.04 -1.525785801e-05 6.06 -1.329430812e-05 6.08 -1.158923711e-05 6.10 -1.010787333e-05 6.12 -8.820218918e-06 6.14 -7.700382233e-06 6.16 -6.726005041e-06 6.18 -5.877770984e-06 6.20 -5.138983576e-06 6.22 -4.495203780e-06 6.24 -3.933938609e-06 6.26 -3.444373491e-06 6.28 -3.017142123e-06 6.30 -2.644128492e-06 6.32 -2.318296487e-06 6.34 -2.033543184e-06 6.36 -1.784572457e-06 6.38 -1.566786051e-06 6.40 -1.376189669e-06 6.42 -1.209311940e-06 6.44 -1.063134495e-06 6.46 0.000000000e+00 6.48 0.000000000e+00 6.50 0.000000000e+00 6.52 0.000000000e+00 6.54 0.000000000e+00 6.56 0.000000000e+00 6.58 0.000000000e+00 6.60 0.000000000e+00 6.62 0.000000000e+00 6.64 0.000000000e+00 6.66 0.000000000e+00 6.68 0.000000000e+00 6.70 0.000000000e+00 6.72 0.000000000e+00 6.74 0.000000000e+00 6.76 0.000000000e+00 6.78 0.000000000e+00 6.80 0.000000000e+00 6.82 0.000000000e+00 6.84 0.000000000e+00 6.86 0.000000000e+00 6.88 0.000000000e+00 6.90 0.000000000e+00 6.92 0.000000000e+00 6.94 0.000000000e+00 6.96 0.000000000e+00 6.98 0.000000000e+00 7.00 0.000000000e+00 7.02 0.000000000e+00 7.04 0.000000000e+00 7.06 0.000000000e+00 7.08 0.000000000e+00 7.10 0.000000000e+00 7.12 0.000000000e+00 7.14 0.000000000e+00 7.16 0.000000000e+00 7.18 0.000000000e+00 7.20 0.000000000e+00 7.22 0.000000000e+00 7.24 0.000000000e+00 7.26 0.000000000e+00 7.28 0.000000000e+00 7.30 0.000000000e+00 7.32 0.000000000e+00 7.34 0.000000000e+00 7.36 0.000000000e+00 7.38 0.000000000e+00 7.40 0.000000000e+00 7.42 0.000000000e+00 7.44 0.000000000e+00 7.46 0.000000000e+00 7.48 0.000000000e+00 7.50 0.000000000e+00 7.52 0.000000000e+00 7.54 0.000000000e+00 7.56 0.000000000e+00 7.58 0.000000000e+00 7.60 0.000000000e+00 7.62 0.000000000e+00 7.64 0.000000000e+00 7.66 0.000000000e+00 7.68 0.000000000e+00 7.70 0.000000000e+00 7.72 0.000000000e+00 7.74 0.000000000e+00 7.76 0.000000000e+00 7.78 0.000000000e+00 7.80 0.000000000e+00 7.82 0.000000000e+00 7.84 0.000000000e+00 7.86 0.000000000e+00 7.88 0.000000000e+00 7.90 0.000000000e+00 7.92 0.000000000e+00 7.94 0.000000000e+00 7.96 0.000000000e+00 7.98 0.000000000e+00 8.00 0.000000000e+00 8.02 0.000000000e+00 8.04 0.000000000e+00 8.06 0.000000000e+00 8.08 0.000000000e+00 8.10 0.000000000e+00 8.12 0.000000000e+00 8.14 0.000000000e+00 8.16 0.000000000e+00 8.18 0.000000000e+00 8.20 0.000000000e+00 8.22 0.000000000e+00 8.24 0.000000000e+00 8.26 0.000000000e+00 8.28 0.000000000e+00 8.30 0.000000000e+00 8.32 0.000000000e+00 8.34 0.000000000e+00 8.36 0.000000000e+00 8.38 0.000000000e+00 8.40 0.000000000e+00 8.42 0.000000000e+00 8.44 0.000000000e+00 8.46 0.000000000e+00 8.48 0.000000000e+00 8.50 0.000000000e+00 8.52 0.000000000e+00 8.54 0.000000000e+00 8.56 0.000000000e+00 8.58 0.000000000e+00 8.60 0.000000000e+00 8.62 0.000000000e+00 8.64 0.000000000e+00 8.66 0.000000000e+00 8.68 0.000000000e+00 8.70 0.000000000e+00 8.72 0.000000000e+00 8.74 0.000000000e+00 8.76 0.000000000e+00 8.78 0.000000000e+00 8.80 0.000000000e+00 8.82 0.000000000e+00 8.84 0.000000000e+00 8.86 0.000000000e+00 8.88 0.000000000e+00 8.90 0.000000000e+00 8.92 0.000000000e+00 8.94 0.000000000e+00 8.96 0.000000000e+00 8.98 0.000000000e+00 9.00 0.000000000e+00 9.02 0.000000000e+00 9.04 0.000000000e+00 9.06 0.000000000e+00 9.08 0.000000000e+00 9.10 0.000000000e+00 9.12 0.000000000e+00 9.14 0.000000000e+00 9.16 0.000000000e+00 9.18 0.000000000e+00 9.20 0.000000000e+00 9.22 0.000000000e+00 9.24 0.000000000e+00 9.26 0.000000000e+00 9.28 0.000000000e+00 9.30 0.000000000e+00 9.32 0.000000000e+00 9.34 0.000000000e+00 9.36 0.000000000e+00 9.38 0.000000000e+00 9.40 0.000000000e+00 9.42 0.000000000e+00 9.44 0.000000000e+00 9.46 0.000000000e+00 9.48 0.000000000e+00 9.50 0.000000000e+00 9.52 0.000000000e+00 9.54 0.000000000e+00 9.56 0.000000000e+00 9.58 0.000000000e+00 9.60 0.000000000e+00 9.62 0.000000000e+00 9.64 0.000000000e+00 9.66 0.000000000e+00 9.68 0.000000000e+00 9.70 0.000000000e+00 9.72 0.000000000e+00 9.74 0.000000000e+00 9.76 0.000000000e+00 9.78 0.000000000e+00 9.80 0.000000000e+00 9.82 0.000000000e+00 9.84 0.000000000e+00 9.86 0.000000000e+00 9.88 0.000000000e+00 9.90 0.000000000e+00 9.92 0.000000000e+00 9.94 0.000000000e+00 9.96 0.000000000e+00 9.98 0.000000000e+00 10.00 0.000000000e+00