# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Huang-S-Xiong-Y-Ma-S-et-al--Ni-Al-Co-Ti # implementation = 2024--Huang-S--Ni-Al-Co-Ti--LAMMPS--ipr1 # composition = CoNi3 # 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 2025-07-01 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 8.120288971e+02 nan nan 0.92 7.378510897e+02 nan nan 0.94 6.683072866e+02 nan nan 0.96 6.026393026e+02 nan nan 0.98 5.415962396e+02 7.715712643e+02 nan 1.00 4.855167328e+02 7.063292471e+02 nan 1.02 4.344599186e+02 6.468398071e+02 7.715006569e+02 1.04 3.879995577e+02 5.914332872e+02 7.123958394e+02 1.06 3.457144552e+02 5.380987494e+02 6.537643303e+02 1.08 3.074938574e+02 4.875287168e+02 5.968346655e+02 1.10 2.731358160e+02 4.402139095e+02 5.425527752e+02 1.12 2.423838560e+02 3.963993242e+02 4.915014396e+02 1.14 2.149538101e+02 3.561552252e+02 4.439970858e+02 1.16 1.905524460e+02 3.194306163e+02 4.001638831e+02 1.18 1.688900541e+02 2.860931588e+02 3.599900502e+02 1.20 1.496886359e+02 2.559587410e+02 3.233704115e+02 1.22 1.326869212e+02 2.288131308e+02 2.901382926e+02 1.24 1.176431264e+02 2.044275940e+02 2.600891659e+02 1.26 1.043361342e+02 1.825699622e+02 2.329979824e+02 1.28 9.256559587e+01 1.630122718e+02 2.086316591e+02 1.30 8.215131831e+01 1.455358483e+02 1.867578908e+02 1.32 7.293220521e+01 1.299345041e+02 1.671511864e+02 1.34 6.476493611e+01 1.160163577e+02 1.495968271e+02 1.36 5.752252066e+01 1.036046650e+02 1.338932901e+02 1.38 5.109281594e+01 9.253795134e+01 1.198535450e+02 1.40 4.537707073e+01 8.266966629e+01 1.073055461e+02 1.42 4.028853436e+01 7.386752566e+01 9.609215758e+01 1.44 3.575115389e+01 6.601265612e+01 8.607069025e+01 1.46 3.169837263e+01 5.899863548e+01 7.711218955e+01 1.48 2.807203383e+01 5.273048697e+01 6.910056955e+01 1.50 2.482138962e+01 4.712367179e+01 6.193166861e+01 1.52 2.190221110e+01 4.210311203e+01 5.551228118e+01 1.54 1.927599382e+01 3.760225927e+01 4.975919559e+01 1.56 1.690925124e+01 3.356222298e+01 4.459826561e+01 1.58 1.477288924e+01 2.993096472e+01 3.996353189e+01 1.60 1.284165313e+01 2.666255824e+01 3.579639883e+01 1.62 1.109364060e+01 2.371651728e+01 3.204487548e+01 1.64 9.509872873e+00 2.105718754e+01 2.866287973e+01 1.66 8.073881003e+00 1.865319871e+01 2.560960399e+01 1.68 6.771227652e+00 1.647697395e+01 2.284894231e+01 1.70 5.589187797e+00 1.450429096e+01 2.034897336e+01 1.72 4.516543533e+00 1.271388431e+01 1.808149578e+01 1.74 3.543405180e+00 1.108704075e+01 1.602161287e+01 1.76 2.661053274e+00 9.607238023e+00 1.414736070e+01 1.78 1.861773170e+00 8.259840145e+00 1.243937649e+01 1.80 1.138598488e+00 7.031866305e+00 1.088060359e+01 1.82 4.851582660e-01 5.911807251e+00 9.456028347e+00 1.84 -1.043773570e-01 4.889462437e+00 8.152446402e+00 1.86 -6.353432599e-01 3.955794931e+00 6.958255063e+00 1.88 -1.112621468e+00 3.102801978e+00 5.863268464e+00 1.90 -1.540679581e+00 2.323399933e+00 4.858553702e+00 1.92 -1.923605916e+00 1.611321615e+00 3.936285045e+00 1.94 -2.265141631e+00 9.610247899e-01 3.089614325e+00 1.96 -2.568710090e+00 3.676106753e-01 2.312555879e+00 1.98 -2.837443755e+00 -1.732518492e-01 1.599879596e+00 2.00 -3.074208818e+00 -6.654340817e-01 9.469554688e-01 2.02 -3.281629029e+00 -1.112453486e+00 3.496005224e-01 2.04 -3.462120226e+00 -1.517551394e+00 -1.960322009e-01 2.06 -3.617920441e+00 -1.883752696e+00 -6.935379829e-01 2.08 -3.751103586e+00 -2.213883199e+00 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-4.297215940e+00 -4.415248008e+00 2.46 -3.858452012e+00 -4.288457062e+00 -4.434867893e+00 2.48 -3.801432938e+00 -4.273032273e+00 -4.445360276e+00 2.50 -3.742225226e+00 -4.251573364e+00 -4.447516494e+00 2.52 -3.681171459e+00 -4.224666073e+00 -4.442072600e+00 2.54 -3.618584597e+00 -4.192853160e+00 -4.429712939e+00 2.56 -3.554750215e+00 -4.156637265e+00 -4.411073501e+00 2.58 -3.489928565e+00 -4.116483602e+00 -4.386745062e+00 2.60 -3.424356505e+00 -4.072822477e+00 -4.357276142e+00 2.62 -3.358249284e+00 -4.026051635e+00 -4.323175765e+00 2.64 -3.291802204e+00 -3.976538473e+00 -4.284916055e+00 2.66 -3.225192159e+00 -3.924622101e+00 -4.242934675e+00 2.68 -3.158579066e+00 -3.870615272e+00 -4.197637099e+00 2.70 -3.092107195e+00 -3.814806189e+00 -4.149398755e+00 2.72 -3.025906398e+00 -3.757460197e+00 -4.098567028e+00 2.74 -2.960093253e+00 -3.698821359e+00 -4.045463133e+00 2.76 -2.894772126e+00 -3.639113938e+00 -3.990383881e+00 2.78 -2.830036148e+00 -3.578543775e+00 -3.933603321e+00 2.80 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-2.831050980e+00 3.16 -1.777826435e+00 -2.438882784e+00 -2.772837978e+00 3.18 -1.733265229e+00 -2.384970370e+00 -2.715417516e+00 3.20 -1.689799665e+00 -2.331950855e+00 -2.658826741e+00 3.22 -1.647420105e+00 -2.279839563e+00 -2.603098394e+00 3.24 -1.606115744e+00 -2.228648785e+00 -2.548261154e+00 3.26 -1.565874755e+00 -2.178388037e+00 -2.494339951e+00 3.28 -1.526684412e+00 -2.129064297e+00 -2.441356270e+00 3.30 -1.488531212e+00 -2.080682222e+00 -2.389328418e+00 3.32 -1.451400979e+00 -2.033244355e+00 -2.338271780e+00 3.34 -1.415278961e+00 -1.986751313e+00 -2.288199057e+00 3.36 -1.380149922e+00 -1.941201963e+00 -2.239120481e+00 3.38 -1.345998218e+00 -1.896593580e+00 -2.191044017e+00 3.40 -1.312807870e+00 -1.852922004e+00 -2.143975550e+00 3.42 -1.280562633e+00 -1.810181773e+00 -2.097919056e+00 3.44 -1.249246050e+00 -1.768366256e+00 -2.052876754e+00 3.46 -1.218841508e+00 -1.727467767e+00 -2.008849260e+00 3.48 -1.189332284e+00 -1.687477681e+00 -1.965839458e+00 3.50 -1.160701584e+00 -1.648386529e+00 -1.923936345e+00 3.52 -1.132932585e+00 -1.610184093e+00 -1.883348970e+00 3.54 -1.106008463e+00 -1.572859497e+00 -1.843672013e+00 3.56 -1.079912420e+00 -1.536401277e+00 -1.804660016e+00 3.58 -1.054627712e+00 -1.500797464e+00 -1.766639664e+00 3.60 -1.030137663e+00 -1.466035642e+00 -1.729603396e+00 3.62 -1.006425687e+00 -1.432103015e+00 -1.693542808e+00 3.64 -9.834752954e-01 -1.398986464e+00 -1.658448700e+00 3.66 -9.612701096e-01 -1.366672592e+00 -1.624311126e+00 3.68 -9.397938667e-01 -1.335147779e+00 -1.591119434e+00 3.70 -9.190304227e-01 -1.304398223e+00 -1.558862298e+00 3.72 -8.989637532e-01 -1.274409975e+00 -1.527527741e+00 3.74 -8.795779509e-01 -1.245168982e+00 -1.497103160e+00 3.76 -8.608572216e-01 -1.216661112e+00 -1.467575333e+00 3.78 -8.427858762e-01 -1.188872192e+00 -1.438930433e+00 3.80 -8.253483216e-01 -1.161788028e+00 -1.411154028e+00 3.82 -8.085290484e-01 -1.135394434e+00 -1.384231079e+00 3.84 -7.923126169e-01 -1.109677248e+00 -1.358145934e+00 3.86 -7.766836403e-01 -1.084622360e+00 -1.332882319e+00 3.88 -7.616267668e-01 -1.060215723e+00 -1.308423323e+00 3.90 -7.471266586e-01 -1.036443372e+00 -1.284751384e+00 3.92 -7.331679702e-01 -1.013291435e+00 -1.261848268e+00 3.94 -7.197353242e-01 -9.907461501e-01 -1.239695052e+00 3.96 -7.068132861e-01 -9.687938731e-01 -1.218272101e+00 3.98 -6.943863375e-01 -9.474210879e-01 -1.197559052e+00 4.00 -6.824388489e-01 -9.266144153e-01 -1.177534793e+00 4.02 -6.710263500e-01 -9.063606199e-01 -1.158177446e+00 4.04 -6.609644005e-01 -8.866466166e-01 -1.139464359e+00 4.06 -6.543044723e-01 -8.674594759e-01 -1.121372098e+00 4.08 -6.751295065e-01 -8.487864280e-01 -1.103876444e+00 4.10 -6.665938815e-01 -8.306148670e-01 -1.086952405e+00 4.12 -6.570789051e-01 -8.129323534e-01 -1.070574232e+00 4.14 -6.475918560e-01 -7.957266167e-01 -1.054715450e+00 4.16 -6.381112721e-01 -7.789855567e-01 -1.039348901e+00 4.18 -6.286189351e-01 -7.626972453e-01 -1.024446800e+00 4.20 -6.191001490e-01 -7.468499269e-01 -1.009980816e+00 4.22 -6.095439395e-01 -7.314320188e-01 -9.959221616e-01 4.24 -5.999431614e-01 -7.164321111e-01 -9.822417087e-01 4.26 -5.902945042e-01 -7.020715879e-01 -9.689101241e-01 4.28 -5.805983911e-01 -6.931215002e-01 -9.558980260e-01 4.30 -5.708587729e-01 -7.023963028e-01 -9.431761623e-01 4.32 -5.610828230e-01 -7.306701291e-01 -9.307156100e-01 4.34 -5.512805455e-01 -7.285799854e-01 -9.184879934e-01 4.36 -5.414643135e-01 -7.155678141e-01 -9.064657184e-01 4.38 -5.316483578e-01 -7.028226273e-01 -8.946222192e-01 4.40 -5.216524471e-01 -6.903349175e-01 -8.829322122e-01 4.42 -5.078352792e-01 -6.780954600e-01 -8.713719498e-01 4.44 -4.674954487e-01 -6.660953211e-01 -8.599194686e-01 4.46 -2.749126836e-01 -6.543258658e-01 -8.485548212e-01 4.48 -2.020665827e-01 -6.427787648e-01 -8.372602846e-01 4.50 -1.976623918e-01 -6.314460016e-01 -8.260205355e-01 4.52 -1.933523377e-01 -6.203198783e-01 -8.148227842e-01 4.54 -1.891344162e-01 -6.093930207e-01 -8.036568601e-01 4.56 -1.850066678e-01 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