# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Fe-Ti # implementation = 2025--Sharifi-H--Fe-Ti--LAMMPS--ipr1 # composition = Ti # 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 A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan 3.070382350e+01 nan nan nan nan 0.80 nan nan nan nan nan 2.937554135e+01 nan nan nan nan 0.82 nan nan nan nan nan 2.810054400e+01 nan nan 5.225205940e+01 nan 0.84 nan nan nan nan nan 2.687664238e+01 nan nan 5.014710312e+01 nan 0.86 nan nan nan nan nan 2.570174327e+01 nan nan 4.810322505e+01 nan 0.88 nan nan nan nan nan 2.457382866e+01 nan nan 4.627456849e+01 nan 0.90 nan 1.184230461e+02 nan nan nan 2.349094519e+01 nan nan 4.469100011e+01 5.577362634e+01 0.92 nan 1.148056336e+02 nan nan nan 2.245119998e+01 7.772597154e+01 nan 4.326841689e+01 5.375906763e+01 0.94 nan 1.114624407e+02 nan nan nan 2.145276031e+01 7.532990869e+01 nan 4.194441584e+01 5.178373959e+01 0.96 nan 1.084435524e+02 nan nan nan 2.049385529e+01 7.299459256e+01 nan 4.067371437e+01 4.984662457e+01 0.98 nan 1.058896899e+02 1.136243802e+02 nan nan 1.957277840e+01 7.069303165e+01 nan 3.942457969e+01 4.794808891e+01 1.00 nan 1.036186007e+02 1.104551001e+02 nan 1.070188741e+02 1.868788988e+01 6.841293819e+01 1.035649359e+02 3.817588201e+01 4.608936260e+01 1.02 1.034039238e+02 1.014866093e+02 1.074227495e+02 1.033997215e+02 1.033955193e+02 1.783761882e+01 6.623437110e+01 9.998431385e+01 3.691467663e+01 4.427214716e+01 1.04 9.989870170e+01 9.938926938e+01 1.044764262e+02 9.989443420e+01 9.989016669e+01 1.702046446e+01 6.415434572e+01 9.669732335e+01 3.563423118e+01 4.249832669e+01 1.06 9.653033057e+01 9.725649385e+01 1.015949808e+02 9.652599703e+01 9.652166349e+01 1.624269476e+01 6.214400427e+01 9.395730573e+01 3.433820177e+01 4.078130788e+01 1.08 9.377282717e+01 9.510003772e+01 9.907203177e+01 9.376842681e+01 9.376402645e+01 1.566229728e+01 6.033692435e+01 9.178069029e+01 3.314731208e+01 3.936180461e+01 1.10 9.164997473e+01 9.289491029e+01 9.690996201e+01 9.164550677e+01 9.164103880e+01 1.528718472e+01 5.872498902e+01 9.005386582e+01 3.207198619e+01 3.825505585e+01 1.12 8.996895548e+01 9.060409339e+01 9.497367327e+01 8.996441911e+01 8.995988275e+01 1.505307695e+01 5.723439079e+01 8.861698909e+01 3.106995591e+01 3.736759811e+01 1.14 8.857616911e+01 8.820682632e+01 9.315947698e+01 8.857156355e+01 8.856695800e+01 1.490877689e+01 5.580936689e+01 8.734500721e+01 3.010959356e+01 3.662515855e+01 1.16 8.735057375e+01 8.569475533e+01 9.138929476e+01 8.734589822e+01 8.734122268e+01 1.481395246e+01 5.440872567e+01 8.614176801e+01 2.916777150e+01 3.596932929e+01 1.18 8.619845577e+01 8.306883397e+01 8.960606288e+01 8.619370946e+01 8.618896315e+01 1.473739399e+01 5.300308842e+01 8.493511905e+01 2.822819868e+01 3.535497055e+01 1.20 8.504889774e+01 8.033679378e+01 8.776981558e+01 8.504407987e+01 8.503926200e+01 1.465550362e+01 5.157256431e+01 8.367269114e+01 2.728002838e+01 3.474797240e+01 1.22 8.384986189e+01 7.751109762e+01 8.585435875e+01 8.384497167e+01 8.384008144e+01 1.455098906e+01 5.010479808e+01 8.231828280e+01 2.631669752e+01 3.412333012e+01 1.24 8.256482470e+01 7.460730129e+01 8.384446249e+01 8.255986133e+01 8.255489796e+01 1.441173950e+01 4.859334052e+01 8.084877409e+01 2.533496563e+01 3.346349833e+01 1.26 8.116988935e+01 7.164275688e+01 8.173349876e+01 8.116485205e+01 8.115981475e+01 1.422986058e+01 4.703629342e+01 7.925150198e+01 2.433412168e+01 3.275698502e+01 1.28 7.965132065e+01 6.863560174e+01 7.952146582e+01 7.964620864e+01 7.964109662e+01 1.400085146e+01 4.543518987e+01 7.752204002e+01 2.331533426e+01 3.199715631e+01 1.30 7.800345215e+01 6.560398498e+01 7.721334757e+01 7.799826464e+01 7.799307712e+01 1.372290628e+01 4.379407591e+01 7.566233048e+01 2.228112340e+01 3.118122562e+01 1.32 7.622691445e+01 6.256548918e+01 7.481775792e+01 7.622165065e+01 7.621638686e+01 1.339632272e+01 4.211876174e+01 7.367912099e+01 2.123493360e+01 3.030940107e+01 1.34 7.432714655e+01 5.953671253e+01 7.234583156e+01 7.432180571e+01 7.431646486e+01 1.302300491e+01 4.041621771e+01 7.158266596e+01 2.018079288e+01 2.938417159e+01 1.36 7.231315247e+01 5.653298079e+01 6.981032422e+01 7.230773380e+01 7.230231513e+01 1.260604828e+01 3.869409184e+01 6.938565634e+01 1.912304388e+01 2.840971242e+01 1.38 7.019646899e+01 5.356816378e+01 6.722489051e+01 7.019097173e+01 7.018547446e+01 1.214939480e+01 3.696032926e+01 6.710234509e+01 1.806613446e+01 2.739139307e+01 1.40 6.799031749e+01 5.065457477e+01 6.460351276e+01 6.798474087e+01 6.797916425e+01 1.165754966e+01 3.522287712e+01 6.474784070e+01 1.701445788e+01 2.633537417e+01 1.42 6.570891284e+01 4.780293470e+01 6.196005646e+01 6.570325612e+01 6.569759940e+01 1.113535043e+01 3.348946036e+01 6.233754374e+01 1.597223376e+01 2.524827992e+01 1.44 6.336690729e+01 4.502238629e+01 5.930793169e+01 6.336116972e+01 6.335543214e+01 1.058778117e+01 3.176741609e+01 5.988670482e+01 1.494342125e+01 2.413693516e+01 1.46 6.097894942e+01 4.232054543e+01 5.665984294e+01 6.097313025e+01 6.096731108e+01 1.001982508e+01 3.006357596e+01 5.741008492e+01 1.393165795e+01 2.300815743e+01 1.48 5.855934055e+01 3.970357977e+01 5.402761166e+01 5.855343906e+01 5.854753757e+01 9.436349632e+00 2.838418726e+01 5.492170160e+01 1.294022211e+01 2.186859547e+01 1.50 5.612177376e+01 3.717630594e+01 5.142205856e+01 5.611578922e+01 5.610980469e+01 8.842019269e+00 2.673486592e+01 5.243464686e+01 1.197201297e+01 2.072460702e+01 1.52 5.367914155e+01 3.474229892e+01 4.885293413e+01 5.367307326e+01 5.366700497e+01 8.241231093e+00 2.512057437e+01 4.996096401e+01 1.102954468e+01 1.958216865e+01 1.54 5.124340131e+01 3.240400779e+01 4.632888799e+01 5.123724856e+01 5.123109581e+01 7.638069085e+00 2.354561927e+01 4.751157288e+01 1.011495070e+01 1.844681302e+01 1.56 4.882548809e+01 3.016287408e+01 4.385746886e+01 4.881925020e+01 4.881301230e+01 7.036270111e+00 2.201366436e+01 4.509623437e+01 9.229995825e+00 1.732358860e+01 1.58 4.643526604e+01 2.801944894e+01 4.144514810e+01 4.642894232e+01 4.642261860e+01 6.439212193e+00 2.052775469e+01 4.272354614e+01 8.376091210e+00 1.621703754e+01 1.60 4.408151141e+01 2.597350710e+01 3.909736140e+01 4.407510120e+01 4.406869100e+01 5.849911859e+00 1.909034804e+01 4.040096305e+01 7.554314263e+00 1.513118834e+01 1.62 4.177192033e+01 2.402415545e+01 3.681856350e+01 4.176542299e+01 4.175892565e+01 5.271026262e+00 1.770334939e+01 3.813483638e+01 6.765433686e+00 1.406956011e+01 1.64 3.951313609e+01 2.216993514e+01 3.461229204e+01 3.950655099e+01 3.949996588e+01 4.704861848e+00 1.636815172e+01 3.593046724e+01 6.009936162e+00 1.303517577e+01 1.66 3.731079135e+01 2.040891636e+01 3.248123754e+01 3.730411786e+01 3.729744436e+01 4.153388137e+00 1.508568071e+01 3.379216995e+01 5.288053231e+00 1.203057930e+01 1.68 3.516956100e+01 1.873878519e+01 3.042731641e+01 3.516279853e+01 3.515603606e+01 3.618255162e+00 1.385644058e+01 3.172334201e+01 4.599789536e+00 1.105785565e+01 1.70 3.309322325e+01 1.715692260e+01 2.845174529e+01 3.308637121e+01 3.307951918e+01 3.100813581e+00 1.268055938e+01 2.972653841e+01 3.944950410e+00 1.011865911e+01 1.72 3.108472577e+01 1.566047612e+01 2.655511483e+01 3.107778362e+01 3.107084146e+01 2.602136565e+00 1.155783263e+01 2.780354802e+01 3.323168149e+00 9.214245158e+00 1.74 2.914625462e+01 1.424642210e+01 2.473746153e+01 2.913922181e+01 2.913218899e+01 2.123042589e+00 1.048776585e+01 2.595546990e+01 2.733925975e+00 8.345504100e+00 1.76 2.727930435e+01 1.291162049e+01 2.299833698e+01 2.727218036e+01 2.726505637e+01 1.664118686e+00 9.469614953e+00 2.418278837e+01 2.176581031e+00 7.512995359e+00 1.78 2.548474767e+01 1.165286318e+01 2.133687337e+01 2.547753201e+01 2.547031635e+01 1.225743559e+00 8.502424071e+00 2.248544557e+01 1.650385839e+00 6.716981418e+00 1.80 2.376290345e+01 1.046691570e+01 1.975184512e+01 2.375559565e+01 2.374828786e+01 8.081101816e-01 7.585060713e+00 2.086291085e+01 1.154507815e+00 5.957460984e+00 1.82 2.211360252e+01 9.350552620e+00 1.824172666e+01 2.210620215e+01 2.209880178e+01 4.112476527e-01 6.716248083e+00 1.931424620e+01 6.880420250e-01 5.234201062e+00 1.84 2.053625018e+01 8.300587398e+00 1.680474480e+01 2.052875683e+01 2.052126347e+01 3.504200524e-02 5.894594508e+00 1.783816755e+01 2.500278935e-01 4.546767478e+00 1.86 1.902988521e+01 7.313896995e+00 1.543892616e+01 1.902229849e+01 1.901471176e+01 -3.207441615e-01 5.118619175e+00 1.643310140e+01 -1.605292000e-01 3.894553654e+00 1.88 1.759323502e+01 6.387442533e+00 1.414214076e+01 1.758555457e+01 1.757787412e+01 -6.564533084e-01 4.386768352e+00 1.509723693e+01 -5.446451722e-01 3.276807525e+00 1.90 1.622476665e+01 5.518282411e+00 1.291214110e+01 1.621699216e+01 1.620921768e+01 -9.725159636e-01 3.697430103e+00 1.382857346e+01 -9.033498012e-01 2.692656403e+00 1.92 1.492273367e+01 4.703569037e+00 1.174659694e+01 1.491486486e+01 1.490699605e+01 -1.269435092e+00 3.048953018e+00 1.262496324e+01 -1.237685829e+00 2.141129816e+00 1.94 1.368521887e+01 3.940547904e+00 1.064312601e+01 1.367725549e+01 1.366929210e+01 -1.547771842e+00 2.439663373e+00 1.148414990e+01 -1.548702835e+00 1.621180302e+00 1.96 1.251017286e+01 3.226564252e+00 9.599320894e+00 1.250211469e+01 1.249405652e+01 -1.808132668e+00 1.867880320e+00 1.040380253e+01 -1.837449755e+00 1.131702168e+00 1.98 1.139544869e+01 2.559068416e+00 8.612772238e+00 1.138729556e+01 1.137914244e+01 -2.051157749e+00 1.331929371e+00 9.381545655e+00 -2.104976020e+00 6.715483078e-01 2.00 1.033883267e+01 1.935619491e+00 7.681088627e+00 1.033058447e+01 1.032233626e+01 -2.277510681e+00 8.301537240e-01 8.414985597e+00 -2.352329493e+00 2.395451355e-01 2.02 9.338071586e+00 1.353887526e+00 6.801909925e+00 9.329728215e+00 9.321384845e+00 -2.487869372e+00 3.609161293e-01 7.501733320e+00 -2.580536294e+00 -1.654942671e-01 2.04 8.390896443e+00 8.116544261e-01 5.972910291e+00 8.382457867e+00 8.374019291e+00 -2.682918061e+00 -7.739927507e-02 6.639424583e+00 -2.790595477e+00 -5.447586709e-01 2.06 7.495043108e+00 3.068137452e-01 5.191806198e+00 7.486509337e+00 7.477975566e+00 -2.863340398e+00 -4.863626636e-01 5.825735551e+00 -2.983476021e+00 -8.994287921e-01 2.08 6.648269973e+00 -1.626322289e-01 4.456366495e+00 6.639641067e+00 6.631012160e+00 -3.029813459e+00 -8.674911670e-01 5.058395894e+00 -3.160114355e+00 -1.230671862e+00 2.10 5.848372912e+00 -5.985851011e-01 3.764421374e+00 5.839648982e+00 5.830925052e+00 -3.183002376e+00 -1.222244797e+00 4.335198959e+00 -3.321412189e+00 -1.539654821e+00 2.12 5.093197777e+00 -1.002859609e+00 3.113868491e+00 5.084378991e+00 5.075560205e+00 -3.323556432e+00 -1.552023975e+00 3.654011563e+00 -3.468235302e+00 -1.827520653e+00 2.14 4.380650652e+00 -1.377186457e+00 2.502677832e+00 4.371737234e+00 4.362823816e+00 -3.452105818e+00 -1.858167843e+00 3.012781540e+00 -3.601412704e+00 -2.095370708e+00 2.16 3.708706065e+00 -1.723214835e+00 1.928895742e+00 3.699698301e+00 3.690690537e+00 -3.569258839e+00 -2.141953109e+00 2.409542818e+00 -3.721736013e+00 -2.344261828e+00 2.18 3.075413414e+00 -2.042515002e+00 1.390647827e+00 3.066311651e+00 3.057209888e+00 -3.675599720e+00 -2.404593613e+00 1.842418925e+00 -3.829959184e+00 -2.575204318e+00 2.20 2.478901759e+00 -2.336580932e+00 8.861408268e-01 2.469706409e+00 2.460511060e+00 -3.771686942e+00 -2.647241874e+00 1.309625113e+00 -3.926798540e+00 -2.789160618e+00 2.22 1.917383190e+00 -2.606832981e+00 4.136635903e-01 1.908094736e+00 1.898806281e+00 -3.858052054e+00 -2.870992798e+00 8.094692877e-01 -4.012933079e+00 -2.987044573e+00 2.24 1.389154956e+00 -2.854620587e+00 -2.841271987e-02 1.379773948e+00 1.370392941e+00 -3.935198901e+00 -3.076885319e+00 3.403518498e-01 -4.089005007e+00 -3.169721225e+00 2.26 8.926004684e-01 -3.081224966e+00 -4.416351172e-01 8.831275344e-01 8.736546004e-01 -4.003603212e+00 -3.265903601e+00 -9.923915225e-02 -4.155620480e+00 -3.338007078e+00 2.28 4.261893801e-01 -3.287861805e+00 -8.274698567e-01 4.166252232e-01 4.070610662e-01 -4.063712521e+00 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