# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Mo # implementation = 2004--Zhou-X-W--Mo--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 Mo Mo 0.02 1.572817423e+04 0.04 7.864202092e+03 0.06 5.242878046e+03 0.08 3.932216022e+03 0.10 3.145818809e+03 0.12 2.621553999e+03 0.14 2.247079136e+03 0.16 1.966222988e+03 0.18 1.747779317e+03 0.20 1.573024381e+03 0.22 1.430043069e+03 0.24 1.310891976e+03 0.26 1.210071821e+03 0.28 1.123654544e+03 0.30 1.048759572e+03 0.32 9.832264705e+02 0.34 9.254031459e+02 0.36 8.740046352e+02 0.38 8.280164941e+02 0.40 7.866271670e+02 0.42 7.491796807e+02 0.44 7.151365112e+02 0.46 6.840536174e+02 0.48 6.555609647e+02 0.50 6.291632899e+02 0.52 5.900925480e+02 0.54 5.532138798e+02 0.56 5.185692211e+02 0.58 4.860245911e+02 0.60 4.554540187e+02 0.62 4.267390638e+02 0.64 3.997683675e+02 0.66 3.744372296e+02 0.68 3.506472104e+02 0.70 3.283057572e+02 0.72 3.073258525e+02 0.74 2.876256835e+02 0.76 2.691283312e+02 0.78 2.517614780e+02 0.80 2.354571328e+02 0.82 2.201513730e+02 0.84 2.057841009e+02 0.86 1.922988155e+02 0.88 1.796423975e+02 0.90 1.677649076e+02 0.92 1.566193959e+02 0.94 1.461617239e+02 0.96 1.363503961e+02 0.98 1.271464026e+02 1.00 1.185130697e+02 1.02 1.104159212e+02 1.04 1.028225466e+02 1.06 9.570247764e+01 1.08 8.902707236e+01 1.10 8.276940593e+01 1.12 7.690416796e+01 1.14 7.140756599e+01 1.16 6.625723480e+01 1.18 6.143215102e+01 1.20 5.691261854e+01 1.22 5.268086212e+01 1.24 4.871905872e+01 1.26 4.501011411e+01 1.28 4.153802642e+01 1.30 3.828781475e+01 1.32 3.524545262e+01 1.34 3.239780594e+01 1.36 2.973257508e+01 1.38 2.723824022e+01 1.40 2.490432310e+01 1.42 2.272187922e+01 1.44 2.068254766e+01 1.46 1.877833953e+01 1.48 1.700163000e+01 1.50 1.534514933e+01 1.52 1.380197326e+01 1.54 1.236551266e+01 1.56 1.102950292e+01 1.58 9.787992848e+00 1.60 8.635333516e+00 1.62 7.566166903e+00 1.64 6.575414565e+00 1.66 5.658266339e+00 1.68 4.810169146e+00 1.70 4.026815966e+00 1.72 3.304134989e+00 1.74 2.638279014e+00 1.76 2.025615100e+00 1.78 1.462714492e+00 1.80 9.463428507e-01 1.82 4.734507895e-01 1.84 4.116472909e-02 1.86 -3.532219236e-01 1.88 -7.122572683e-01 1.90 -1.038339078e+00 1.92 -1.333722635e+00 1.94 -1.600528254e+00 1.96 -1.840748471e+00 1.98 -2.056254931e+00 2.00 -2.248804968e+00 2.02 -2.420047877e+00 2.04 -2.571530908e+00 2.06 -2.704704970e+00 2.08 -2.820930060e+00 2.10 -2.921480434e+00 2.12 -3.007549519e+00 2.14 -3.080254580e+00 2.16 -3.140641153e+00 2.18 -3.189687251e+00 2.20 -3.228307348e+00 2.22 -3.257356160e+00 2.24 -3.277632225e+00 2.26 -3.289881294e+00 2.28 -3.294799529e+00 2.30 -3.293036543e+00 2.32 -3.285198257e+00 2.34 -3.271849606e+00 2.36 -3.253517089e+00 2.38 -3.230691170e+00 2.40 -3.203828540e+00 2.42 -3.173354241e+00 2.44 -3.139663656e+00 2.46 -3.103124372e+00 2.48 -3.064077916e+00 2.50 -3.022841366e+00 2.52 -2.979708837e+00 2.54 -2.934952844e+00 2.56 -2.888825534e+00 2.58 -2.841559789e+00 2.60 -2.793370196e+00 2.62 -2.744453870e+00 2.64 -2.694991127e+00 2.66 -2.645146002e+00 2.68 -2.595066593e+00 2.70 -2.544885234e+00 2.72 -2.494718477e+00 2.74 -2.444666900e+00 2.76 -2.394814727e+00 2.78 -2.345229292e+00 2.80 -2.295960362e+00 2.82 -2.247039388e+00 2.84 -2.198478736e+00 2.86 -2.150271010e+00 2.88 -2.102388578e+00 2.90 -2.054783444e+00 2.92 -2.007387613e+00 2.94 -1.960114095e+00 2.96 -1.912858651e+00 2.98 -1.865502358e+00 3.00 -1.817914975e+00 3.02 -1.769959008e+00 3.04 -1.721494322e+00 3.06 -1.672383036e+00 3.08 -1.622494452e+00 3.10 -1.571709770e+00 3.12 -1.519926419e+00 3.14 -1.467061943e+00 3.16 -1.413057479e+00 3.18 -1.357880982e+00 3.20 -1.301530375e+00 3.22 -1.244036800e+00 3.24 -1.185468022e+00 3.26 -1.125931914e+00 3.28 -1.065579706e+00 3.30 -1.004608535e+00 3.32 -9.432626167e-01 3.34 -8.818323301e-01 3.36 -8.206505377e-01 3.38 -7.600856618e-01 3.40 -7.005313890e-01 3.42 -6.423933067e-01 3.44 -5.860732632e-01 3.46 -5.319526552e-01 3.48 -4.803761154e-01 3.50 -4.316371155e-01 3.52 -3.859668090e-01 3.54 -3.435270280e-01 3.56 -3.044078311e-01 3.58 -2.686294416e-01 3.60 -2.361479589e-01 3.62 -2.068639001e-01 3.64 -1.806324884e-01 3.66 -1.572746509e-01 3.68 -1.365878474e-01 3.70 -1.183559040e-01 3.72 -1.023575293e-01 3.74 -8.837331799e-02 3.76 -7.619124635e-02 3.78 -6.561055957e-02 3.80 -5.644302321e-02 3.82 -4.851679170e-02 3.84 -4.167756952e-02 3.86 -3.578608731e-02 3.88 -3.071789367e-02 3.90 -2.636269171e-02 3.92 -2.262338972e-02 3.94 -1.941499782e-02 3.96 -1.666346361e-02 3.98 -1.430451225e-02 4.00 -1.228253250e-02 4.02 -1.054953526e-02 4.04 -9.064198152e-03 4.06 -7.791002037e-03 4.08 -6.699459620e-03 4.10 -5.763432367e-03 4.12 -4.960530304e-03 4.14 -4.271587507e-03 4.16 -3.680206172e-03 4.18 -3.172361686e-03 4.20 -2.736061768e-03 4.22 -2.361052993e-03 4.24 -2.038568668e-03 4.26 -1.761112648e-03 4.28 -1.522274173e-03 4.30 -1.316569523e-03 4.32 -1.139306659e-03 4.34 -9.864696513e-04 4.36 -8.546200019e-04 4.38 -7.408124619e-04 4.40 -6.425232005e-04 4.42 -5.575885345e-04 4.44 -4.841526650e-04 4.46 -4.206230863e-04 4.48 -3.656325473e-04 4.50 -3.180065814e-04 4.52 -2.767357964e-04 4.54 -2.409522081e-04 4.56 -2.099090282e-04 4.58 -1.829633909e-04 4.60 -1.595615876e-04 4.62 -1.392264392e-04 4.64 -1.215464904e-04 4.66 -1.061667619e-04 4.68 -9.278082772e-05 4.70 -8.112402843e-05 4.72 -7.096765151e-05 4.74 -6.211394031e-05 4.76 -5.439181009e-05 4.78 -4.765316986e-05 4.80 -4.176976229e-05 4.82 -3.663044716e-05 4.84 -3.213886522e-05 4.86 -2.821142757e-05 4.88 -2.477558482e-05 4.90 -2.176833574e-05 4.92 -1.913494206e-05 4.94 -1.682781988e-05 4.96 -1.480558330e-05 4.98 -1.303221862e-05 5.00 -1.147637102e-05 5.02 -1.011072815e-05 5.04 -8.911486958e-06 5.06 -7.857892571e-06 5.08 -6.931838974e-06 5.10 -6.117523270e-06 5.12 -5.401146018e-06 5.14 -4.770651461e-06 5.16 -4.215502179e-06 5.18 -3.726483508e-06 5.20 -3.295533736e-06 5.22 -2.915596552e-06 5.24 -2.580492835e-06 5.26 -2.284809120e-06 5.28 -2.023800596e-06 5.30 -1.793306639e-06 5.32 -1.589677267e-06 5.34 -1.409709057e-06 5.36 -1.250589277e-06 5.38 -1.109847172e-06 5.40 -9.853114466e-07 5.42 -8.750731635e-07 5.44 -7.774533265e-07 5.46 -6.909745693e-07 5.48 -6.143363985e-07 5.50 -5.463935480e-07 5.52 -4.861370384e-07 5.54 -4.326775982e-07 5.56 -3.852311474e-07 5.58 -3.431060780e-07 5.60 -3.056921078e-07 5.62 -2.724505054e-07 5.64 -2.429055177e-07 5.66 -2.166368445e-07 5.68 -1.932730341e-07 5.70 -1.724856807e-07 5.72 -1.539843269e-07 5.74 -1.375119833e-07 5.76 -1.228411872e-07 5.78 -1.097705369e-07 5.80 -9.812164048e-08 5.82 -8.773642992e-08 5.84 -7.847479550e-08 5.86 -7.021250139e-08 5.88 -6.283934824e-08 5.90 -5.625755315e-08 5.92 -5.038032053e-08 5.94 -4.513058091e-08 5.96 -4.043987777e-08 5.98 -3.624738422e-08 6.00 -3.249903460e-08 6.02 -2.914675679e-08 6.04 -2.614779363e-08 6.06 -2.346410283e-08 6.08 -2.106182591e-08 6.10 -1.891097603e-08 6.12 0.000000000e+00 6.14 0.000000000e+00 6.16 0.000000000e+00 6.18 0.000000000e+00 6.20 0.000000000e+00 6.22 0.000000000e+00 6.24 0.000000000e+00 6.26 0.000000000e+00 6.28 0.000000000e+00 6.30 0.000000000e+00 6.32 0.000000000e+00 6.34 0.000000000e+00 6.36 0.000000000e+00 6.38 0.000000000e+00 6.40 0.000000000e+00 6.42 0.000000000e+00 6.44 0.000000000e+00 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