# 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 = CoW3 # 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 4.371174259e+02 nan nan 1.16 3.995464822e+02 nan nan 1.18 3.652500337e+02 nan nan 1.20 3.339094864e+02 nan nan 1.22 3.052420737e+02 nan nan 1.24 2.789938525e+02 nan nan 1.26 2.549352935e+02 nan nan 1.28 2.328605181e+02 3.736907521e+02 4.340626713e+02 1.30 2.125887760e+02 3.440344892e+02 4.004876929e+02 1.32 1.939650620e+02 3.167558695e+02 3.695176136e+02 1.34 1.768573686e+02 2.916438393e+02 3.409161810e+02 1.36 1.611509917e+02 2.684993728e+02 3.144770534e+02 1.38 1.467424415e+02 2.471380634e+02 2.900234288e+02 1.40 1.335350261e+02 2.273942615e+02 2.674026871e+02 1.42 1.214364141e+02 2.091238209e+02 2.464795150e+02 1.44 1.103575182e+02 1.922036000e+02 2.271304935e+02 1.46 1.002122634e+02 1.765282492e+02 2.092409799e+02 1.48 9.091813241e+01 1.620061999e+02 1.927035946e+02 1.50 8.239737075e+01 1.485563225e+02 1.774172293e+02 1.52 7.457853260e+01 1.361056434e+02 1.632861237e+02 1.54 6.739779433e+01 1.245879398e+02 1.502193192e+02 1.56 6.079953750e+01 1.139428213e+02 1.381308703e+02 1.58 5.473612422e+01 1.041148389e+02 1.269407772e+02 1.60 4.916705150e+01 9.505236466e+01 1.165761236e+02 1.62 4.405765369e+01 8.670633570e+01 1.069716922e+02 1.64 3.937751632e+01 7.902914695e+01 9.806962885e+01 1.66 3.509884836e+01 7.197395717e+01 8.981835050e+01 1.68 3.119509307e+01 6.549451236e+01 8.217126706e+01 1.70 2.763998749e+01 5.954537345e+01 7.508577362e+01 1.72 2.440715807e+01 5.408230831e+01 6.852263837e+01 1.74 2.147019809e+01 4.906268586e+01 6.244571437e+01 1.76 1.880448316e+01 4.444587685e+01 5.682184050e+01 1.78 1.638632157e+01 4.019373218e+01 5.162075193e+01 1.80 1.419146185e+01 3.627115376e+01 4.681482725e+01 1.82 1.219721801e+01 3.264668172e+01 4.237861175e+01 1.84 1.038242889e+01 2.929295684e+01 3.828820737e+01 1.86 8.726858277e+00 2.618689392e+01 3.452069759e+01 1.88 7.212192509e+00 2.330944435e+01 3.105374503e+01 1.90 5.822458271e+00 2.064509651e+01 2.786540133e+01 1.92 4.544249420e+00 1.818224253e+01 2.493406940e+01 1.94 3.366665575e+00 1.590983458e+01 2.223852788e+01 1.96 2.280997913e+00 1.381711784e+01 1.975820905e+01 1.98 1.280276651e+00 1.189412492e+01 1.747467476e+01 2.00 3.587964587e-01 1.013041287e+01 1.536898019e+01 2.02 -4.883009521e-01 8.515466956e+00 1.342327419e+01 2.04 -1.265349973e+00 7.038732419e+00 1.162216968e+01 2.06 -1.976385066e+00 5.689612808e+00 9.951830215e+00 2.08 -2.625279705e+00 4.457512667e+00 8.400704110e+00 2.10 -3.215822256e+00 3.331948228e+00 6.959543608e+00 2.12 -3.751749812e+00 2.302736263e+00 5.621066092e+00 2.14 -4.236754183e+00 1.360241130e+00 4.379484761e+00 2.16 -4.674465773e+00 4.956316976e-01 3.230017792e+00 2.18 -5.068417199e+00 -2.989122623e-01 2.168457512e+00 2.20 -5.421992963e+00 -1.030093697e+00 1.190843941e+00 2.22 -5.738379838e+00 -1.703511712e+00 2.932557815e-01 2.24 -6.020533801e+00 -2.323779550e+00 -5.282912817e-01 2.26 -6.271169301e+00 -2.894707292e+00 -1.277866311e+00 2.28 -6.492764266e+00 -3.419503250e+00 -1.959601189e+00 2.30 -6.687569720e+00 -3.900957391e+00 -2.577657520e+00 2.32 -6.857616542e+00 -4.341586206e+00 -3.136200615e+00 2.34 -7.004717852e+00 -4.743733397e+00 -3.639383984e+00 2.36 -7.130314202e+00 -5.109630868e+00 -4.091339493e+00 2.38 -7.235692109e+00 -5.441429283e+00 -4.496166304e+00 2.40 -7.322324178e+00 -5.741208294e+00 -4.857912271e+00 2.42 -7.391448145e+00 -6.010974952e+00 -5.180543024e+00 2.44 -7.444087809e+00 -6.252656310e+00 -5.467896558e+00 2.46 -7.481088734e+00 -6.468089771e+00 -5.723625197e+00 2.48 -7.503159082e+00 -6.659013052e+00 -5.951131411e+00 2.50 -7.510874928e+00 -6.827055146e+00 -6.153507758e+00 2.52 -7.504023308e+00 -6.973729944e+00 -6.333492464e+00 2.54 -7.481831626e+00 -7.100419735e+00 -6.493449832e+00 2.56 -7.443728309e+00 -7.208245858e+00 -6.635379081e+00 2.58 -7.389351186e+00 -7.298457669e+00 -6.760948283e+00 2.60 -7.318526165e+00 -7.372235988e+00 -6.871544895e+00 2.62 -7.231273618e+00 -7.430760059e+00 -6.968265449e+00 2.64 -7.127761800e+00 -7.475094263e+00 -7.051903865e+00 2.66 -7.008231159e+00 -7.506191389e+00 -7.123554993e+00 2.68 -6.873091092e+00 -7.524911879e+00 -7.184223260e+00 2.70 -6.722943441e+00 -7.532018804e+00 -7.234804291e+00 2.72 -6.558615109e+00 -7.527794133e+00 -7.276110352e+00 2.74 -6.381194944e+00 -7.512224798e+00 -7.308887011e+00 2.76 -6.192055524e+00 -7.485306609e+00 -7.333823440e+00 2.78 -5.992784141e+00 -7.446961050e+00 -7.351539850e+00 2.80 -5.785206920e+00 -7.397210856e+00 -7.362173163e+00 2.82 -5.571392404e+00 -7.336187465e+00 -7.365466244e+00 2.84 -5.353561565e+00 -7.264122715e+00 -7.361263668e+00 2.86 -5.133971631e+00 -7.181379719e+00 -7.349498815e+00 2.88 -4.914788096e+00 -7.088304969e+00 -7.330158818e+00 2.90 -4.697962241e+00 -6.985316258e+00 -7.303252054e+00 2.92 -4.485131868e+00 -6.872935237e+00 -7.268782033e+00 2.94 -4.277559306e+00 -6.751789045e+00 -7.226761614e+00 2.96 -4.076113598e+00 -6.622606544e+00 -7.177101466e+00 2.98 -3.881295377e+00 -6.486188852e+00 -7.119647551e+00 3.00 -3.693295579e+00 -6.343285730e+00 -7.054213058e+00 3.02 -3.512074670e+00 -6.194654757e+00 -6.980586892e+00 3.04 -3.337447873e+00 -6.041083047e+00 -6.898545581e+00 3.06 -3.169163501e+00 -5.883340988e+00 -6.807866603e+00 3.08 -3.006964909e+00 -5.722136903e+00 -6.708341076e+00 3.10 -2.850630883e+00 -5.558078891e+00 -6.599749420e+00 3.12 -2.699993559e+00 -5.391648818e+00 -6.481846610e+00 3.14 -2.554936776e+00 -5.223191217e+00 -6.354434218e+00 3.16 -2.415380433e+00 -5.052917188e+00 -6.217371343e+00 3.18 -2.281257771e+00 -4.880921263e+00 -6.070577474e+00 3.20 -2.152492356e+00 -4.707207924e+00 -5.914035716e+00 3.22 -2.028980199e+00 -4.531724260e+00 -5.747797810e+00 3.24 -1.910580292e+00 -4.354395717e+00 -5.571992360e+00 3.26 -1.797114541e+00 -4.175162601e+00 -5.386837381e+00 3.28 -1.688376067e+00 -3.994015638e+00 -5.192657620e+00 3.30 -1.584143513e+00 -3.811029211e+00 -4.989906249e+00 3.32 -1.484198358e+00 -3.626390904e+00 -4.779189443e+00 3.34 -1.388342248e+00 -3.440425759e+00 -4.561291222e+00 3.36 -1.296411787e+00 -3.253613358e+00 -4.337194976e+00 3.38 -1.208288921e+00 -3.066595649e+00 -4.108097401e+00 3.40 -1.123905817e+00 -2.880173594e+00 -3.875410452e+00 3.42 -1.043243881e+00 -2.695291275e+00 -3.640747536e+00 3.44 -9.663272972e-01 -2.513007143e+00 -3.405891570e+00 3.46 -8.932120503e-01 -2.334453527e+00 -3.172744649e+00 3.48 -8.239718541e-01 -2.160787094e+00 -2.943261683e+00 3.50 -7.586827014e-01 -1.993134372e+00 -2.719372933e+00 3.52 -6.974077889e-01 -1.832537371e+00 -2.502902471e+00 3.54 -6.401844048e-01 -1.679904521e+00 -2.295490615e+00 3.56 -5.870139886e-01 -1.535971495e+00 -2.098528193e+00 3.58 -5.378560651e-01 -1.401275158e+00 -1.913108843e+00 3.60 -4.926262085e-01 -1.276142076e+00 -1.740003053e+00 3.62 -4.511977009e-01 -1.160691201e+00 -1.579654591e+00 3.64 -4.134061851e-01 -1.054848802e+00 -1.432197183e+00 3.66 -3.790564019e-01 -9.583726307e-01 -1.297487251e+00 3.68 -3.479300697e-01 -8.708818938e-01 -1.175147398e+00 3.70 -3.197940422e-01 -7.918896727e-01 -1.064615255e+00 3.72 -2.944079234e-01 -7.208349318e-01 -9.651929234e-01 3.74 -2.715311384e-01 -6.571119647e-01 -8.760933491e-01 3.76 -2.509287394e-01 -6.000959025e-01 -7.964811673e-01 3.78 -2.323754929e-01 -5.491636053e-01 -7.255067326e-01 3.80 -2.156590936e-01 -5.037098270e-01 -6.623329667e-01 3.82 -2.005822299e-01 -4.631589424e-01 -6.061553416e-01 3.84 -1.869636788e-01 -4.269727702e-01 -5.562157374e-01 3.86 -1.746386222e-01 -3.946551407e-01 -5.118111296e-01 3.88 -1.634583690e-01 -3.657538777e-01 -4.722981139e-01 3.90 -1.532896523e-01 -3.398608217e-01 -4.370942332e-01 3.92 -1.440136407e-01 -3.166104446e-01 -4.056769575e-01 3.94 -1.355247798e-01 -2.956775177e-01 -3.775810391e-01 3.96 -1.277295513e-01 -2.767741996e-01 -3.523948195e-01 3.98 -1.205452179e-01 -2.596468316e-01 -3.297559423e-01 4.00 -1.138985997e-01 -2.440726530e-01 -3.093468048e-01 4.02 -1.077249158e-01 -2.298565911e-01 -2.908899922e-01 4.04 -1.019667118e-01 -2.168282298e-01 -2.741438605e-01 4.06 -9.657288754e-02 -2.048390325e-01 -2.588983734e-01 4.08 -9.149783180e-02 -1.937598554e-01 -2.449712570e-01 4.10 -8.670067106e-02 -1.834787090e-01 -2.322045004e-01 4.12 -8.214463511e-02 -1.738988972e-01 -2.204612113e-01 4.14 -7.779654460e-02 -1.649377597e-01 -2.096228168e-01 4.16 -7.362642516e-02 -1.565250242e-01 -1.995864506e-01 4.18 -6.960725411e-02 -1.486016942e-01 -1.902630669e-01 4.20 -6.571484541e-02 -1.411190715e-01 -1.815755176e-01 4.22 -6.192787648e-02 -1.340378053e-01 -1.734567104e-01 4.24 -5.822805505e-02 -1.273268887e-01 -1.658482127e-01 4.26 -5.460041505e-02 -1.209625313e-01 -1.586990337e-01 4.28 -5.103371508e-02 -1.149268733e-01 -1.519645664e-01 4.30 -4.752089177e-02 -1.092065507e-01 -1.456056724e-01 4.32 -4.405949852e-02 -1.037911801e-01 -1.395878910e-01 4.34 -4.065203643e-02 -9.867187433e-02 -1.338807564e-01 4.36 -3.730606716e-02 -9.383992170e-02 -1.284572093e-01 4.38 -3.403400058e-02 -8.928562988e-02 -1.232930886e-01 4.40 -3.085247344e-02 -8.499779566e-02 -1.183666929e-01 4.42 -2.778128996e-02 -8.096367000e-02 -1.136584017e-01 4.44 -2.484172294e-02 -7.716865837e-02 -1.091503479e-01 4.46 -2.205504829e-02 -7.359664062e-02 -1.048261344e-01 4.48 -1.944126259e-02 -7.023044475e-02 -1.006705900e-01 4.50 -1.701688833e-02 -6.705236621e-02 -9.666955927e-02 4.52 -1.479371158e-02 -6.404465507e-02 -9.280972293e-02 4.54 -1.277805244e-02 -6.118992243e-02 -8.907844864e-02 4.56 -1.097060874e-02 -5.847144549e-02 -8.546366765e-02 4.58 -9.366825641e-03 -5.587337216e-02 -8.195378159e-02 4.60 -7.957667928e-03 -5.338084025e-02 -7.853759807e-02 4.62 -6.730635289e-03 -5.098003333e-02 -7.520429876e-02 4.64 -5.670860554e-03 -4.865819727e-02 -7.194344345e-02 4.66 -4.762158643e-03 -4.640364033e-02 -6.874501448e-02 4.68 -3.987936118e-03 -4.420573628e-02 -6.559950639e-02 4.70 -3.331914509e-03 -4.205494616e-02 -6.249806519e-02 4.72 -2.778656565e-03 -3.994286971e-02 -5.943268030e-02 4.74 -2.313909843e-03 -3.786233268e-02 -5.639642938e-02 4.76 -1.924796230e-03 -3.580751070e-02 -5.338377141e-02 4.78 -1.599881223e-03 -3.377408448e-02 -5.039087702e-02 4.80 -1.329156176e-03 -3.175941309e-02 -4.741597509e-02 4.82 -1.103962488e-03 -2.976270700e-02 -4.445968726e-02 4.84 -9.168810483e-04 -2.778517227e-02 -4.152530942e-02 4.86 -7.616045510e-04 -2.583009492e-02 -3.861899263e-02 4.88 -6.328051799e-04 -2.390283018e-02 -3.574977334e-02 4.90 -5.260059134e-04 -2.201066643e-02 -3.292940778e-02 4.92 -4.374604649e-04 -2.016254309e-02 -3.017198083e-02 4.94 -3.640445671e-04 -1.836861901e-02 -2.749328503e-02 4.96 -3.031596437e-04 -1.663955046e-02 -2.490976473e-02 4.98 -2.526488420e-04 -1.498605849e-02 -2.243786670e-02 5.00 -2.107247748e-04 -1.341841183e-02 -2.009330095e-02 5.02 -1.759079598e-04 -1.194553377e-02 -1.788970465e-02 5.04 -1.469747792e-04 -1.057446705e-02 -1.583784910e-02 5.06 -1.229137558e-04 -9.310003503e-03 -1.394509230e-02 5.08 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-8.258769124e-04 5.44 -4.971220814e-06 -4.661851235e-04 -6.985127816e-04 5.46 -4.241122679e-06 -3.943620330e-04 -5.908933372e-04 5.48 -3.621770576e-06 -3.336919731e-04 -4.999856636e-04 5.50 -3.095856257e-06 -2.824508837e-04 -4.232064789e-04 5.52 -2.648852356e-06 -2.391742355e-04 -3.583613436e-04 5.54 -2.268554020e-06 -2.026206567e-04 -3.035901475e-04 5.56 -1.944697899e-06 -1.717397637e-04 -2.573190341e-04 5.58 -1.668645169e-06 -1.456440037e-04 -2.182180359e-04 5.60 -1.433117542e-06 -1.235842159e-04 -1.851645846e-04 5.62 -1.231977236e-06 -1.049285627e-04 -1.572119106e-04 5.64 -1.060043409e-06 -8.914446415e-05 -1.335619758e-04 5.66 -9.129389052e-07 -7.578317904e-05 -1.135423695e-04 5.68 -7.869621368e-07 -6.446668965e-05 -9.658665684e-05 5.70 -6.789799277e-07 -5.487658044e-05 -8.221771400e-05 5.72 -5.863377942e-07 -4.674462905e-05 -7.003362966e-05 5.74 -5.067847520e-07 -3.984486106e-05 -5.969579927e-05 5.76 -4.384102406e-07 -3.398685090e-05 -5.091888667e-05 5.78 -3.795911738e-07 -2.901007985e-05 -4.346236971e-05 5.80 -3.289474438e-07 -2.477918862e-05 -3.712342645e-05 5.82 -2.853044948e-07 -2.117998516e-05 -3.173095283e-05 5.84 -2.476618174e-07 -1.811608902e-05 -2.714053440e-05 5.86 -2.151664047e-07 -1.550611150e-05 -2.323022082e-05 5.88 -1.870903664e-07 -1.328128634e-05 -1.989697549e-05 5.90 -1.628120323e-07 -1.138347897e-05 -1.705369251e-05 5.92 -1.417999900e-07 -9.763513613e-06 -1.462668992e-05 5.94 -1.235995891e-07 -8.379767220e-06 -1.255360272e-05 5.96 -1.078215173e-07 -7.196987393e-06 -1.078161165e-05 5.98 -9.413212651e-08 -6.185298221e-06 -9.265953424e-06 6.00 -8.224523107e-08 -5.319363854e-06 -7.968667474e-06