# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2016--Tseplyaev-V-I-Starikov-S-V--U-N # implementation = 2016--Tseplyaev-V-I--U-N--LAMMPS--ipr1 # composition = NU3 # 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 2022-05-24 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 3.286270765e+04 nan nan 0.98 2.752882261e+04 nan nan 1.00 2.307056388e+04 nan nan 1.02 1.934218088e+04 nan nan 1.04 1.622358707e+04 nan nan 1.06 1.361322383e+04 2.764313427e+04 nan 1.08 1.142648831e+04 2.340394573e+04 2.983514447e+04 1.10 9.596819813e+03 1.981875952e+04 2.534296795e+04 1.12 8.063520903e+03 1.678565543e+04 2.153028901e+04 1.14 6.777479640e+03 1.421914095e+04 1.829373879e+04 1.16 5.698404867e+03 1.204699539e+04 1.554450768e+04 1.18 4.792822135e+03 1.020819534e+04 1.321211381e+04 1.20 4.032616843e+03 8.651386237e+03 1.123149155e+04 1.22 3.394322254e+03 7.333134642e+03 9.548682934e+03 1.24 2.858184243e+03 6.216186078e+03 8.118571633e+03 1.26 2.407692663e+03 5.271539550e+03 6.903227872e+03 1.28 2.028966263e+03 4.471486684e+03 5.870340123e+03 1.30 1.710271375e+03 3.793359263e+03 4.992423429e+03 1.32 1.442087684e+03 3.218500063e+03 4.246196410e+03 1.34 1.216264756e+03 2.731204506e+03 3.611893551e+03 1.36 1.026003304e+03 2.318092460e+03 3.072678748e+03 1.38 8.656832935e+02 1.967826088e+03 2.614271174e+03 1.40 7.305876736e+02 1.670767746e+03 2.224487971e+03 1.42 6.167297683e+02 1.418797708e+03 1.892528713e+03 1.44 5.207446180e+02 1.205051791e+03 1.611028771e+03 1.46 4.397735169e+02 1.023583147e+03 1.371623912e+03 1.48 3.713959268e+02 8.696538992e+02 1.168173527e+03 1.50 3.136140984e+02 7.389273589e+02 9.950292168e+02 1.52 2.647837573e+02 6.278940735e+02 8.476583770e+02 1.54 2.235153448e+02 5.335950855e+02 7.222472927e+02 1.56 1.886314530e+02 4.534749092e+02 6.154966843e+02 1.58 1.591485164e+02 3.853641378e+02 5.246041202e+02 1.60 1.342469966e+02 3.274137244e+02 4.471694751e+02 1.62 1.132267877e+02 2.780702020e+02 3.811417047e+02 1.64 9.486085449e+01 2.360346997e+02 3.248980153e+02 1.66 8.028810470e+01 2.002320984e+02 2.769878533e+02 1.68 6.810727592e+01 1.697568269e+02 2.361574642e+02 1.70 5.780337570e+01 1.438307518e+02 2.013324905e+02 1.72 4.895469165e+01 1.218050570e+02 1.715962966e+02 1.74 4.134477421e+01 1.028194866e+02 1.462215426e+02 1.76 3.481528919e+01 8.717060236e+01 1.245589277e+02 1.78 2.921308712e+01 7.395994163e+01 1.060486654e+02 1.80 2.440330624e+01 6.274489737e+01 9.021224468e+01 1.82 2.027386329e+01 5.315045086e+01 7.666094659e+01 1.84 1.672737730e+01 4.493702112e+01 6.505409497e+01 1.86 1.368963336e+01 3.790738743e+01 5.509840486e+01 1.88 1.108244180e+01 3.188762477e+01 4.653986870e+01 1.90 8.745378837e+00 2.672836479e+01 3.918455689e+01 1.92 6.797560648e+00 2.230765749e+01 3.286466538e+01 1.94 5.181919700e+00 1.852195038e+01 2.743701352e+01 1.96 3.833542124e+00 1.528031546e+01 2.277741507e+01 1.98 2.694371798e+00 1.250340529e+01 1.878616171e+01 2.00 1.731556298e+00 1.015583408e+01 1.542916192e+01 2.02 7.711935439e-01 7.807781542e+00 1.206706570e+01 2.04 1.330770981e-01 6.309216661e+00 9.977069480e+00 2.06 -3.932856549e-01 5.100167539e+00 8.321807946e+00 2.08 -8.484501338e-01 4.073312040e+00 6.946228757e+00 2.10 -1.261359628e+00 3.010381307e+00 5.729523127e+00 2.12 -1.641236355e+00 2.064587633e+00 4.640932216e+00 2.14 -1.992493890e+00 1.235278868e+00 3.600605813e+00 2.16 -2.316914604e+00 5.068788533e-01 2.644046369e+00 2.18 -2.616505588e+00 -1.360413178e-01 1.812210083e+00 2.20 -3.095919204e+00 -7.037406255e-01 1.095183767e+00 2.22 -3.593392339e+00 -1.191295063e+00 4.825333801e-01 2.24 -4.087550119e+00 -1.598958486e+00 -3.735812372e-02 2.26 -4.543707311e+00 -1.928439400e+00 -4.825814316e-01 2.28 -4.926205717e+00 -2.185889107e+00 -8.718263956e-01 2.30 -5.228521925e+00 -2.380722511e+00 -1.221412874e+00 2.32 -5.461512065e+00 -2.525309167e+00 -1.544773699e+00 2.34 -5.638318648e+00 -2.631457080e+00 -1.849825858e+00 2.36 -5.771784836e+00 -2.711601643e+00 -2.128009666e+00 2.38 -5.872597905e+00 -2.873166304e+00 -2.371575704e+00 2.40 -5.949411580e+00 -3.042660229e+00 -2.586366876e+00 2.42 -6.008094234e+00 -3.220137560e+00 -2.777331073e+00 2.44 -6.052646859e+00 -3.446333617e+00 -3.111258749e+00 2.46 -6.086008926e+00 -3.738181978e+00 -3.438722032e+00 2.48 -6.110111510e+00 -4.032674146e+00 -3.738053365e+00 2.50 -6.124409239e+00 -4.325879242e+00 -4.022416776e+00 2.52 -6.127033868e+00 -4.610122984e+00 -4.281617716e+00 2.54 -6.117196045e+00 -4.876827131e+00 -4.510504211e+00 2.56 -6.094218930e+00 -5.120031407e+00 -4.707248842e+00 2.58 -6.057547860e+00 -5.337069887e+00 -4.875250807e+00 2.60 -6.008151427e+00 -5.526677469e+00 -5.017850742e+00 2.62 -5.947655281e+00 -5.687918785e+00 -5.137489441e+00 2.64 -5.877929744e+00 -5.820903676e+00 -5.236023068e+00 2.66 -5.800662106e+00 -5.928246549e+00 -5.317602121e+00 2.68 -5.716439156e+00 -6.014299097e+00 -5.387544919e+00 2.70 -5.626966041e+00 -6.082082365e+00 -5.449062802e+00 2.72 -5.533224290e+00 -6.133204068e+00 -5.504801021e+00 2.74 -5.435037584e+00 -6.170163121e+00 -5.557341724e+00 2.76 -5.333977583e+00 -6.195100006e+00 -5.609097449e+00 2.78 -5.231040460e+00 -6.209886959e+00 -5.660251917e+00 2.80 -5.126801113e+00 -6.214829674e+00 -5.706374796e+00 2.82 -5.024125959e+00 -6.209298474e+00 -5.747025183e+00 2.84 -4.925337044e+00 -6.192694238e+00 -5.779967022e+00 2.86 -4.832435214e+00 -6.164445261e+00 -5.802383194e+00 2.88 -4.747191785e+00 -6.124037599e+00 -5.811783966e+00 2.90 -4.671122607e+00 -6.070959389e+00 -5.806590098e+00 2.92 -4.605443215e+00 -6.004695682e+00 -5.785500516e+00 2.94 -4.550453113e+00 -5.925855053e+00 -5.747956761e+00 2.96 -4.505504806e+00 -5.836144905e+00 -5.694560310e+00 2.98 -4.469663321e+00 -5.737570040e+00 -5.626999446e+00 3.00 -4.442050501e+00 -5.632398202e+00 -5.547449039e+00 3.02 -4.421721090e+00 -5.523140792e+00 -5.458618243e+00 3.04 -4.406989755e+00 -5.412575311e+00 -5.363957653e+00 3.06 -4.395910150e+00 -5.303781705e+00 -5.266569277e+00 3.08 -4.386434894e+00 -5.200020482e+00 -5.168400834e+00 3.10 -4.376678345e+00 -5.103480299e+00 -5.070875054e+00 3.12 -4.364832894e+00 -5.014094292e+00 -4.972919349e+00 3.14 -4.350158866e+00 -4.931637845e+00 -4.873464330e+00 3.16 -4.332760675e+00 -4.855926371e+00 -4.772187662e+00 3.18 -4.312345041e+00 -4.786501131e+00 -4.668463651e+00 3.20 -4.288327078e+00 -4.723120799e+00 -4.561373070e+00 3.22 -4.259950498e+00 -4.665918945e+00 -4.449494594e+00 3.24 -4.226250616e+00 -4.614435872e+00 -4.332972997e+00 3.26 -4.186001790e+00 -4.566794078e+00 -4.214434061e+00 3.28 -4.137817173e+00 -4.522440250e+00 -4.097095851e+00 3.30 -4.080031594e+00 -4.481318996e+00 -3.985100468e+00 3.32 -4.011475265e+00 -4.443268922e+00 -3.883072894e+00 3.34 -3.931218365e+00 -4.408023300e+00 -3.795551112e+00 3.36 -3.839688888e+00 -4.375143286e+00 -3.726840330e+00 3.38 -3.737913822e+00 -4.343474440e+00 -3.679926938e+00 3.40 -3.627424454e+00 -4.311399127e+00 -3.656727175e+00 3.42 -3.510374562e+00 -4.277220472e+00 -3.657096838e+00 3.44 -3.389532328e+00 -4.239775863e+00 -3.677801545e+00 3.46 -3.267738163e+00 -4.198280103e+00 -3.715030287e+00 3.48 -3.148368813e+00 -4.152523925e+00 -3.764870790e+00 3.50 -3.035186417e+00 -4.102690322e+00 -3.823504450e+00 3.52 -2.931639625e+00 -4.049067513e+00 -3.887475190e+00 3.54 -2.838290998e+00 -3.992082972e+00 -3.953683456e+00 3.56 -2.753278489e+00 -3.932338460e+00 -4.019343587e+00 3.58 -2.674360023e+00 -3.870630506e+00 -4.080912279e+00 3.60 -2.599219053e+00 -3.807965766e+00 -4.130779012e+00 3.62 -2.525830317e+00 -3.745408288e+00 -4.173240745e+00 3.64 -2.452647899e+00 -3.683593978e+00 -4.207361546e+00 3.66 -2.378392853e+00 -3.623046543e+00 -4.232294771e+00 3.68 -2.302181448e+00 -3.564443521e+00 -4.247438664e+00 3.70 -2.223731767e+00 -3.509274839e+00 -4.253179380e+00 3.72 -2.143209647e+00 -3.459294603e+00 -4.250171465e+00 3.74 -2.061124977e+00 -3.415770872e+00 -4.238823576e+00 3.76 -1.978282045e+00 -3.378120723e+00 -4.219328284e+00 3.78 -1.895803639e+00 -3.345210347e+00 -4.191816943e+00 3.80 -1.815855329e+00 -3.315759254e+00 -4.156352611e+00 3.82 -1.741113745e+00 -3.287509327e+00 -4.112919663e+00 3.84 -1.674190231e+00 -3.258985490e+00 -4.061411541e+00 3.86 -1.617209696e+00 -3.229062057e+00 -4.001625215e+00 3.88 -1.570095477e+00 -3.196595757e+00 -3.933236299e+00 3.90 -1.531937423e+00 -3.160422628e+00 -3.855772654e+00 3.92 -1.501676917e+00 -3.119349886e+00 -3.768590167e+00 3.94 -1.478093272e+00 -3.072140636e+00 -3.670844202e+00 3.96 -1.459865851e+00 -3.017493241e+00 -3.561595067e+00 3.98 -1.445596935e+00 -2.954012222e+00 -3.439882291e+00 4.00 -1.433873803e+00 -2.880426528e+00 -3.304847941e+00 4.02 -1.423406850e+00 -2.796578944e+00 -3.156528940e+00 4.04 -1.412955390e+00 -2.703178988e+00 -2.995301385e+00 4.06 -1.401487053e+00 -2.601042747e+00 -2.821776959e+00 4.08 -1.388111375e+00 -2.491060233e+00 -2.636891868e+00 4.10 -1.372011646e+00 -2.374233076e+00 -2.441989532e+00 4.12 -1.352462407e+00 -2.251701722e+00 -2.238900109e+00 4.14 -1.328927774e+00 -2.124775614e+00 -2.030002341e+00 4.16 -1.301766966e+00 -1.994950342e+00 -1.818267645e+00 4.18 -1.271838613e+00 -1.863920277e+00 -1.607122900e+00 4.20 -1.240080563e+00 -1.733585909e+00 -1.400119758e+00 4.22 -1.207503206e+00 -1.606046016e+00 -1.201104311e+00 4.24 -1.175182623e+00 -1.483586136e+00 -1.014204705e+00 4.26 -1.144250870e+00 -1.368651148e+00 -8.437494650e-01 4.28 -1.115883428e+00 -1.263819450e+00 -6.941724477e-01 4.30 -1.091191499e+00 -1.171870732e+00 -5.698940588e-01 4.32 -1.070491489e+00 -1.094721022e+00 -4.736034667e-01 4.34 -1.053362537e+00 -1.032124290e+00 -4.043205576e-01 4.36 -1.039252449e+00 -9.834101896e-01 -3.602139967e-01 4.38 -1.027550949e+00 -9.477622970e-01 -3.391011330e-01 4.40 -1.017604637e+00 -9.242465922e-01 -3.386157060e-01 4.42 -1.008734422e+00 -9.118370360e-01 -3.564179559e-01 4.44 -1.000323386e+00 -9.094415961e-01 -3.900624205e-01 4.46 -9.918098877e-01 -9.159235120e-01 -4.370270548e-01 4.48 -9.826279278e-01 -9.301205903e-01 -4.947620976e-01 4.50 -9.722072683e-01 -9.508634574e-01 -5.607315994e-01 4.52 -9.599739697e-01 -9.769858064e-01 -6.324481085e-01 4.54 -9.453481018e-01 -1.007339979e+00 -7.074974168e-01 4.56 -9.278659200e-01 -1.040730493e+00 -7.835575331e-01 4.58 -9.076882881e-01 -1.075569779e+00 -8.584098003e-01 4.60 -8.851688673e-01 -1.110153213e+00 -9.299392368e-01 4.62 -8.606659217e-01 -1.142835021e+00 -9.961540432e-01 4.64 -8.346806487e-01 -1.172593516e+00 -1.056027633e+00 4.66 -8.079108025e-01 -1.199191235e+00 -1.109720018e+00 4.68 -7.810830535e-01 -1.222438389e+00 -1.157461149e+00 4.70 -7.549260673e-01 -1.242137921e+00 -1.199469749e+00 4.72 -7.299644670e-01 -1.258088023e+00 -1.235958135e+00 4.74 -7.064771436e-01 -1.270075147e+00 -1.267124282e+00 4.76 -6.847447935e-01 -1.277879673e+00 -1.293161550e+00 4.78 -6.650634689e-01 -1.281269393e+00 -1.314251932e+00 4.80 -6.477537596e-01 -1.279999311e+00 -1.330588664e+00 4.82 -6.330087173e-01 -1.273810195e+00 -1.342371340e+00 4.84 -6.204328690e-01 -1.262593354e+00 -1.349781126e+00 4.86 -6.094698934e-01 -1.246651798e+00 -1.352979613e+00 4.88 -5.995517804e-01 -1.226349877e+00 -1.352114328e+00 4.90 -5.901008491e-01 -1.202044995e+00 -1.347312204e+00 4.92 -5.805334849e-01 -1.174096045e+00 -1.338688785e+00 4.94 -5.702629465e-01 -1.142869117e+00 -1.326353673e+00 4.96 -5.587305986e-01 -1.108845777e+00 -1.310561211e+00 4.98 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