# 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 = NiPb3 # 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 4.094386802e+02 nan nan 1.16 3.801411895e+02 nan nan 1.18 3.530765877e+02 nan nan 1.20 3.280529763e+02 nan nan 1.22 3.048965212e+02 nan nan 1.24 2.834505046e+02 nan nan 1.26 2.635741172e+02 nan nan 1.28 2.451400331e+02 3.610620462e+02 4.076793885e+02 1.30 2.280322739e+02 3.374376006e+02 3.815308008e+02 1.32 2.121453428e+02 3.154450621e+02 3.571690963e+02 1.34 1.973837595e+02 2.949591429e+02 3.344553269e+02 1.36 1.836607272e+02 2.758640231e+02 3.132644056e+02 1.38 1.708964257e+02 2.580529404e+02 2.934829129e+02 1.40 1.590169617e+02 2.414285457e+02 2.750066775e+02 1.42 1.479541715e+02 2.259026947e+02 2.577392802e+02 1.44 1.376456171e+02 2.113953985e+02 2.415916484e+02 1.46 1.280344678e+02 1.978335616e+02 2.264820880e+02 1.48 1.190691470e+02 1.851500804e+02 2.123361391e+02 1.50 1.107027555e+02 1.732832559e+02 1.990859622e+02 1.52 1.028924473e+02 1.621761176e+02 1.866693634e+02 1.54 9.559883741e+01 1.517756215e+02 1.750288782e+02 1.56 8.878553297e+01 1.420320618e+02 1.641111618e+02 1.58 8.243341063e+01 1.328989212e+02 1.538667470e+02 1.60 7.652159367e+01 1.243330050e+02 1.442499193e+02 1.62 7.101798760e+01 1.162946244e+02 1.352184945e+02 1.64 6.589310634e+01 1.087475989e+02 1.267335730e+02 1.66 6.112006378e+01 1.016590441e+02 1.187593530e+02 1.68 5.667428604e+01 9.499898917e+01 1.112629652e+02 1.70 5.253301738e+01 8.873996299e+01 1.042142277e+02 1.72 4.867492124e+01 8.286770321e+01 9.758519038e+01 1.74 4.507993655e+01 7.736989891e+01 9.134962159e+01 1.76 4.172934235e+01 7.222278096e+01 8.548613851e+01 1.78 3.860583882e+01 6.740411391e+01 7.998694528e+01 1.80 3.569351783e+01 6.289298667e+01 7.482979872e+01 1.82 3.297774466e+01 5.866960463e+01 6.999181649e+01 1.84 3.044502531e+01 5.471521524e+01 6.545175209e+01 1.86 2.808289571e+01 5.101209767e+01 6.118998076e+01 1.88 2.587985557e+01 4.754361074e+01 5.718845011e+01 1.90 2.382532099e+01 4.429419228e+01 5.343058413e+01 1.92 2.190956189e+01 4.124931612e+01 4.990117118e+01 1.94 2.012362127e+01 3.839543230e+01 4.658620777e+01 1.96 1.845920355e+01 3.571992801e+01 4.347274629e+01 1.98 1.690854958e+01 3.321110091e+01 4.054875114e+01 2.00 1.546432105e+01 3.085812718e+01 3.780297234e+01 2.02 1.411953406e+01 2.865101576e+01 3.522484541e+01 2.04 1.286753621e+01 2.658054164e+01 3.280440087e+01 2.06 1.170203766e+01 2.463817274e+01 3.053219471e+01 2.08 1.061714268e+01 2.281600455e+01 2.839926352e+01 2.10 9.607372890e+00 2.110670764e+01 2.639711494e+01 2.12 8.667667892e+00 1.950348670e+01 2.451773258e+01 2.14 7.793365053e+00 1.800004212e+01 2.275357952e+01 2.16 6.980166845e+00 1.659052457e+01 2.109758713e+01 2.18 6.224092220e+00 1.526948509e+01 1.954312700e+01 2.20 5.521438466e+00 1.403181771e+01 1.808397506e+01 2.22 4.868738726e+00 1.287271456e+01 1.671427354e+01 2.24 4.262735888e+00 1.178762871e+01 1.542850720e+01 2.26 3.700368541e+00 1.077224858e+01 1.422148998e+01 2.28 3.178768678e+00 9.822479049e+00 1.308836446e+01 2.30 2.695263778e+00 8.934426535e+00 1.202459515e+01 2.32 2.247376415e+00 8.104382854e+00 1.102596383e+01 2.34 1.832815604e+00 7.328811491e+00 1.008855394e+01 2.36 1.449456465e+00 6.604333776e+00 9.208732173e+00 2.38 1.095322017e+00 5.927722076e+00 8.383129505e+00 2.40 7.685585790e-01 5.295901567e+00 7.608623988e+00 2.42 4.674211977e-01 4.705960860e+00 6.882322145e+00 2.44 1.902576712e-01 4.155164854e+00 6.201539081e+00 2.46 -6.450120736e-02 3.640966886e+00 5.563776051e+00 2.48 -2.983484923e-01 3.161013580e+00 4.966695931e+00 2.50 -5.127059528e-01 2.713141967e+00 4.408099284e+00 2.52 -7.089269039e-01 2.295369517e+00 3.885898946e+00 2.54 -8.882960244e-01 1.905879020e+00 3.398100176e+00 2.56 -1.051972467e+00 1.543000513e+00 2.942783414e+00 2.58 -1.200961766e+00 1.205192053e+00 2.518092663e+00 2.60 -1.336223848e+00 8.910204127e-01 2.122229864e+00 2.62 -1.458677945e+00 5.991436756e-01 1.753455851e+00 2.64 -1.569200608e+00 3.282931021e-01 1.410093471e+00 2.66 -1.668620489e+00 7.726010500e-02 1.090539365e+00 2.68 -1.757716789e+00 -1.551182925e-01 7.932688246e-01 2.70 -1.837217937e+00 -3.699664740e-01 5.168437356e-01 2.72 -1.907802059e+00 -5.683735177e-01 2.599140411e-01 2.74 -1.970098662e+00 -7.513917191e-01 2.121668516e-02 2.76 -2.024691088e+00 -9.200309671e-01 -2.004254821e-01 2.78 -2.072119033e+00 -1.075231660e+00 -4.061054011e-01 2.80 -2.112883391e+00 -1.217794740e+00 -5.968344767e-01 2.82 -2.147447039e+00 -1.348454427e+00 -7.735456172e-01 2.84 -2.176240241e+00 -1.467905250e+00 -9.370983395e-01 2.86 -2.199662928e+00 -1.576799394e+00 -1.088268818e+00 2.88 -2.218091044e+00 -1.675747451e+00 -1.227703203e+00 2.90 -2.231874567e+00 -1.765321087e+00 -1.355991093e+00 2.92 -2.241342556e+00 -1.846056598e+00 -1.473693719e+00 2.94 -2.246807722e+00 -1.918458647e+00 -1.581346838e+00 2.96 -2.248570581e+00 -1.983003851e+00 -1.679461763e+00 2.98 -2.247009531e+00 -2.040144149e+00 -1.768535602e+00 3.00 -2.242323404e+00 -2.090309961e+00 -1.849042110e+00 3.02 -2.234661536e+00 -2.133913187e+00 -1.921442615e+00 3.04 -2.224181674e+00 -2.171348937e+00 -1.986185856e+00 3.06 -2.211045925e+00 -2.203002707e+00 -2.043709478e+00 3.08 -2.195417232e+00 -2.229245448e+00 -2.094440792e+00 3.10 -2.177456653e+00 -2.250440795e+00 -2.138796790e+00 3.12 -2.157321492e+00 -2.266944142e+00 -2.177183504e+00 3.14 -2.135154505e+00 -2.279108795e+00 -2.209994807e+00 3.16 -2.111071268e+00 -2.287277953e+00 -2.237610728e+00 3.18 -2.085192146e+00 -2.291789093e+00 -2.260395336e+00 3.20 -2.057648327e+00 -2.292969513e+00 -2.278694005e+00 3.22 -2.028583449e+00 -2.291145897e+00 -2.292832479e+00 3.24 -1.998154001e+00 -2.286673212e+00 -2.303112618e+00 3.26 -1.966527826e+00 -2.279799339e+00 -2.309812927e+00 3.28 -1.933880514e+00 -2.270692531e+00 -2.313188138e+00 3.30 -1.900390044e+00 -2.259503599e+00 -2.313470371e+00 3.32 -1.866230506e+00 -2.246373182e+00 -2.310886354e+00 3.34 -1.831565164e+00 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-1.867468741e-02 -6.377070361e-02 -9.433669260e-02 5.84 -1.774181976e-02 -6.099054001e-02 -9.033011514e-02 5.86 -1.684025461e-02 -5.824742023e-02 -8.635892882e-02 5.88 -1.596726142e-02 -5.553944810e-02 -8.242281744e-02 5.90 -1.512053095e-02 -5.286566193e-02 -7.852254984e-02 5.92 -1.429818694e-02 -5.022606380e-02 -7.466005904e-02 5.94 -1.349878850e-02 -4.762162228e-02 -7.083849681e-02 5.96 -1.272132283e-02 -4.505403548e-02 -6.706225653e-02 5.98 -1.196518835e-02 -4.252615659e-02 -6.333695241e-02 6.00 -1.123016792e-02 -4.004183963e-02 -5.966935392e-02