# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Miraz-A-S-M-Dhariwal-N-Meng-W-J-et-al--Cu-N-Ti # implementation = 2020--Miraz-A-S-M--Cu-N-Ti--LAMMPS--ipr1 # composition = N3Ti # 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 2.533422323e+02 nan nan 0.92 2.288381158e+02 nan nan 0.94 2.071528942e+02 nan nan 0.96 1.879433169e+02 nan nan 0.98 1.709024773e+02 2.081141381e+02 nan 1.00 1.557579842e+02 1.880828557e+02 nan 1.02 1.422696388e+02 1.702350490e+02 2.293051637e+02 1.04 1.302267444e+02 1.543292763e+02 2.090251924e+02 1.06 1.194452793e+02 1.401460080e+02 1.909063825e+02 1.08 1.097650855e+02 1.274871938e+02 1.747046870e+02 1.10 1.010471711e+02 1.161752984e+02 1.602002320e+02 1.12 9.317118736e+01 1.060520151e+02 1.471960809e+02 1.14 8.603311185e+01 9.697680567e+01 1.355167069e+02 1.16 7.954315081e+01 8.882536403e+01 1.250063085e+02 1.18 7.362386148e+01 8.148808299e+01 1.155270749e+02 1.20 6.820848643e+01 7.486856813e+01 1.069574696e+02 1.22 6.323948674e+01 6.888222903e+01 9.919057348e+01 1.24 5.866725864e+01 6.345496936e+01 9.213252552e+01 1.26 5.444901620e+01 5.852198184e+01 8.570107116e+01 1.28 5.054782291e+01 5.402665180e+01 7.982422955e+01 1.30 4.693175570e+01 4.991956926e+01 7.443908327e+01 1.32 4.357318515e+01 4.615764263e+01 6.949068490e+01 1.34 4.044815768e+01 4.270330975e+01 6.493107770e+01 1.36 3.753586612e+01 3.952383875e+01 6.071842359e+01 1.38 3.481819756e+01 3.659070998e+01 5.681622853e+01 1.40 3.227934738e+01 3.387907277e+01 5.319265913e+01 1.42 2.990549007e+01 3.136726868e+01 4.981994110e+01 1.44 2.768449882e+01 2.903641385e+01 4.667383082e+01 1.46 2.560570650e+01 2.687003338e+01 4.373315363e+01 1.48 2.365970199e+01 2.485369988e+01 4.097940022e+01 1.50 2.183815615e+01 2.297467751e+01 3.839637504e+01 1.52 2.013363296e+01 2.122168832e+01 3.596989063e+01 1.54 1.853927314e+01 1.958472918e+01 3.368750199e+01 1.56 1.704863070e+01 1.805491243e+01 3.153827611e+01 1.58 1.565563647e+01 1.662432720e+01 2.951259248e+01 1.60 1.435456998e+01 1.528591864e+01 2.760197002e+01 1.62 1.314003472e+01 1.403338287e+01 2.579891714e+01 1.64 1.200693616e+01 1.286107554e+01 2.409680009e+01 1.66 1.095046228e+01 1.176393214e+01 2.248972972e+01 1.68 9.966066007e+00 1.073739828e+01 2.097246413e+01 1.70 9.049449389e+00 9.777340934e+00 1.954028275e+01 1.72 8.196549244e+00 8.879912106e+00 1.818878845e+01 1.74 7.403524002e+00 8.041492462e+00 1.691382938e+01 1.76 6.666741613e+00 7.258673647e+00 1.571147844e+01 1.78 5.982768382e+00 6.528242972e+00 1.457801604e+01 1.80 5.348358555e+00 5.847169705e+00 1.350991489e+01 1.82 4.760444627e+00 5.212592763e+00 1.250382667e+01 1.84 4.216128232e+00 4.621809606e+00 1.155657013e+01 1.86 3.712671571e+00 4.072266176e+00 1.066512058e+01 1.88 3.247489327e+00 3.561547773e+00 9.826600472e+00 1.90 2.818140993e+00 3.087370713e+00 9.038270911e+00 1.92 2.422323608e+00 2.647574692e+00 8.297524029e+00 1.94 2.057864843e+00 2.240115787e+00 7.601876047e+00 1.96 1.722716415e+00 1.863059969e+00 6.948960922e+00 1.98 1.414947816e+00 1.514577117e+00 6.336524546e+00 2.00 1.132740332e+00 1.192935457e+00 5.762419372e+00 2.02 8.743813147e-01 8.964963635e-01 5.224599426e+00 2.04 6.382587388e-01 6.237095211e-01 4.721115674e+00 2.06 4.228559797e-01 3.731083742e-01 4.250111666e+00 2.08 2.267468352e-01 1.433058530e-01 3.809819441e+00 2.10 4.859077049e-02 -6.700964479e-02 3.398555672e+00 2.12 -1.128716274e-01 -2.590780571e-01 3.014717990e+00 2.14 -2.588229863e-01 -4.340712487e-01 2.656781509e+00 2.16 -3.903732877e-01 -5.930964117e-01 2.323295509e+00 2.18 -5.085638178e-01 -7.371992981e-01 2.012880251e+00 2.20 -6.143709320e-01 -8.673672837e-01 1.724223951e+00 2.22 -7.087096439e-01 -9.845322831e-01 1.456079860e+00 2.24 -7.924370453e-01 -1.089573528e+00 1.207263468e+00 2.26 -8.663555589e-01 -1.183320208e+00 9.766498111e-01 2.28 -9.312160361e-01 -1.266553990e+00 7.631708880e-01 2.30 -9.877207012e-01 -1.340011418e+00 5.658131626e-01 2.32 -1.036525949e+00 -1.404386206e+00 3.836151683e-01 2.34 -1.078245003e+00 -1.460331425e+00 2.156651938e-01 2.36 -1.113450439e+00 -1.508461582e+00 6.109905625e-02 2.38 -1.142676573e+00 -1.549354613e+00 -8.090204291e-02 2.40 -1.166421738e+00 -1.583553783e+00 -2.111135864e-01 2.42 -1.185150426e+00 -1.611569493e+00 -3.302697297e-01 2.44 -1.199295328e+00 -1.633881010e+00 -4.390652161e-01 2.46 -1.209259261e+00 -1.650938119e+00 -5.381572212e-01 2.48 -1.215416986e+00 -1.663162685e+00 -6.281671239e-01 2.50 -1.218116937e+00 -1.670950160e+00 -7.096822109e-01 2.52 -1.217682845e+00 -1.674671010e+00 -7.832573144e-01 2.54 -1.214415279e+00 -1.674672072e+00 -8.494163835e-01 2.56 -1.208593096e+00 -1.671277851e+00 -9.086539934e-01 2.58 -1.200474809e+00 -1.664791757e+00 -9.614367925e-01 2.60 -1.190299884e+00 -1.655497277e+00 -1.008204890e+00 2.62 -1.178289955e+00 -1.643659092e+00 -1.049373184e+00 2.64 -1.164649970e+00 -1.629524144e+00 -1.085332638e+00 2.66 -1.149569276e+00 -1.613322638e+00 -1.116451491e+00 2.68 -1.133222633e+00 -1.595269011e+00 -1.143076432e+00 2.70 -1.115771173e+00 -1.575562838e+00 -1.165533705e+00 2.72 -1.097363302e+00 -1.554389700e+00 -1.184130177e+00 2.74 -1.078135546e+00 -1.531922005e+00 -1.199154352e+00 2.76 -1.058213347e+00 -1.508319768e+00 -1.210877340e+00 2.78 -1.037711810e+00 -1.483731350e+00 -1.219553782e+00 2.80 -1.016736410e+00 -1.458294157e+00 -1.225422729e+00 2.82 -9.953836477e-01 -1.432135306e+00 -1.228708483e+00 2.84 -9.737348184e-01 -1.405372252e+00 -1.229621395e+00 2.86 -9.514651677e-01 -1.378113384e+00 -1.228358629e+00 2.88 -9.275656205e-01 -1.350458585e+00 -1.225104880e+00 2.90 -9.050287235e-01 -1.322499768e+00 -1.220033068e+00 2.92 -8.829174259e-01 -1.294321378e+00 -1.213304989e+00 2.94 -8.608536073e-01 -1.266000865e+00 -1.205071940e+00 2.96 -8.388862297e-01 -1.237609136e+00 -1.195475306e+00 2.98 -8.170592796e-01 -1.209210980e+00 -1.184647124e+00 3.00 -7.954121356e-01 -1.180865464e+00 -1.172710611e+00 3.02 -7.739799122e-01 -1.152624169e+00 -1.159780676e+00 3.04 -7.527937814e-01 -1.124507728e+00 -1.145964391e+00 3.06 -7.318812727e-01 -1.096545595e+00 -1.131361453e+00 3.08 -7.112665541e-01 -1.068895467e+00 -1.116064608e+00 3.10 -6.909706941e-01 -1.041521635e+00 -1.100160061e+00 3.12 -6.710119062e-01 -1.014454524e+00 -1.083727863e+00 3.14 -6.514057771e-01 -9.877225952e-01 -1.066842278e+00 3.16 -6.321654796e-01 -9.613510631e-01 -1.049572125e+00 3.18 -6.133019710e-01 -9.353621299e-01 -1.031981112e+00 3.20 -5.948241779e-01 -9.097752029e-01 -1.014128138e+00 3.22 -5.767391682e-01 -8.846071004e-01 -9.960675935e-01 3.24 -5.590523114e-01 -8.598722440e-01 -9.778496343e-01 3.26 -5.417674273e-01 -8.355828400e-01 -9.595204433e-01 3.28 -5.248869250e-01 -8.117490489e-01 -9.411224790e-01 3.30 -5.084119311e-01 -7.883791441e-01 -9.226947090e-01 3.32 -4.923424094e-01 -7.654796614e-01 -9.042728314e-01 3.34 -4.766772714e-01 -7.430555374e-01 -8.858894825e-01 3.36 -4.614144798e-01 -7.211102412e-01 -8.675744343e-01 3.38 -4.465511430e-01 -6.996458955e-01 -8.493547798e-01 3.40 -4.320836036e-01 -6.786633907e-01 -8.312551083e-01 3.42 -4.180075202e-01 -6.581624920e-01 -8.132976707e-01 3.44 -4.043179422e-01 -6.381419384e-01 -7.955025351e-01 3.46 -3.910093799e-01 -6.185995353e-01 -7.778877333e-01 3.48 -3.780758689e-01 -5.995322415e-01 -7.602664484e-01 3.50 -3.655110286e-01 -5.809362496e-01 -7.374217992e-01 3.52 -3.533081175e-01 -5.628070606e-01 -6.925664143e-01 3.54 -3.414600828e-01 -5.451395547e-01 -6.471765636e-01 3.56 -3.299596070e-01 -5.279280551e-01 -6.307306611e-01 3.58 -3.187991495e-01 -5.111663891e-01 -6.145560781e-01 3.60 -3.079709859e-01 -4.948479437e-01 -5.986593984e-01 3.62 -2.974672428e-01 -4.789657176e-01 -5.830460880e-01 3.64 -2.872799309e-01 -4.635123691e-01 -5.677205790e-01 3.66 -2.774009737e-01 -4.484802608e-01 -5.526863480e-01 3.68 -2.678222350e-01 -4.338615007e-01 -5.379459901e-01 3.70 -2.585355427e-01 -4.196479803e-01 -5.235012882e-01 3.72 -2.495327112e-01 -4.058314091e-01 -5.093532778e-01 3.74 -2.408055611e-01 -3.924033477e-01 -4.955023078e-01 3.76 -2.323459373e-01 -3.793552368e-01 -4.819480976e-01 3.78 -2.241457252e-01 -3.666784250e-01 -4.686897903e-01 3.80 -2.161968651e-01 -3.543641933e-01 -4.557260030e-01 3.82 -2.084913648e-01 -3.424037787e-01 -4.430548730e-01 3.84 -2.010213115e-01 -3.307883945e-01 -4.306741019e-01 3.86 -1.937788816e-01 -3.195092499e-01 -4.185809962e-01 3.88 -1.867563494e-01 -3.085575671e-01 -4.067725052e-01 3.90 -1.799460956e-01 -2.979245973e-01 -3.952452565e-01 3.92 -1.733406130e-01 -2.876016350e-01 -3.839955896e-01 3.94 -1.669325130e-01 -2.775800308e-01 -3.730195860e-01 3.96 -1.607145301e-01 -2.678512035e-01 -3.623130984e-01 3.98 -1.546795262e-01 -2.584066500e-01 -3.518717769e-01 4.00 -1.488204937e-01 -2.492379553e-01 -3.416910944e-01 4.02 -1.432581134e-01 -2.403368002e-01 -3.317663690e-01 4.04 -1.396546708e-01 -2.316949696e-01 -3.220927856e-01 4.06 -1.411819855e-01 -2.233043581e-01 -3.126654155e-01 4.08 -1.445766023e-01 -2.151569766e-01 -3.034792350e-01 4.10 -1.387765463e-01 -2.072449569e-01 -2.945291417e-01 4.12 -1.329242414e-01 -1.995605561e-01 -2.858099707e-01 4.14 -1.272513163e-01 -1.920961607e-01 -2.773165085e-01 4.16 -1.217492879e-01 -1.848442892e-01 -2.690435063e-01 4.18 -1.164099447e-01 -1.777975956e-01 -2.609856924e-01 4.20 -1.112253396e-01 -1.709488710e-01 -2.531377829e-01 4.22 -1.061877822e-01 -1.642910458e-01 -2.454944921e-01 4.24 -1.012898308e-01 -1.578171912e-01 -2.380505419e-01 4.26 -9.652428608e-02 -1.518939574e-01 -2.308006699e-01 4.28 -9.188418314e-02 -1.539373195e-01 -2.237396377e-01 4.30 -8.736278529e-02 -1.777022194e-01 -2.168622372e-01 4.32 -8.295357730e-02 -1.791885014e-01 -2.101632974e-01 4.34 -7.865025919e-02 -1.450002074e-01 -2.036376899e-01 4.36 -7.444674030e-02 -1.401149165e-01 -1.972803339e-01 4.38 -7.033713362e-02 -1.353711155e-01 -1.910862011e-01 4.40 -6.712960602e-02 -1.307640409e-01 -1.850503193e-01 4.42 -7.906436471e-02 -1.262890287e-01 -1.791677764e-01 4.44 -1.290551054e-01 -1.219415138e-01 -1.734337231e-01 4.46 -1.165099897e-01 -1.177170298e-01 -1.678433763e-01 4.48 1.452633977e-03 -1.136112085e-01 -1.623920207e-01 4.50 1.381848866e-03 -1.096197792e-01 -1.570750114e-01 4.52 1.314509945e-03 -1.057385677e-01 -1.518877756e-01 4.54 1.250449737e-03 -1.019634958e-01 -1.468258137e-01 4.56 1.189508879e-03 -9.829057989e-02 -1.418847007e-01 4.58 1.131535722e-03 -9.471593007e-02 -1.370600871e-01 4.60 1.076385969e-03 -9.123574871e-02 -1.323476997e-01 4.62 1.023922315e-03 -8.784632931e-02 -1.277433420e-01 4.64 9.740141122e-04 -8.454405511e-02 -1.232428945e-01 4.66 9.265370527e-04 -8.132539777e-02 -1.188423151e-01 4.68 8.813728567e-04 -7.818691583e-02 -1.145376388e-01 4.70 8.384089841e-04 -7.512525338e-02 -1.103249781e-01 4.72 7.975383605e-04 -7.213713852e-02 -1.062005224e-01 4.74 7.586591072e-04 -6.921938189e-02 -1.021605379e-01 4.76 7.216742948e-04 -6.636887525e-02 -9.820136754e-02 4.78 6.864917032e-04 -6.358258997e-02 -9.431943004e-02 4.80 6.530235902e-04 -6.085757559e-02 -9.051121995e-02 4.82 6.211864802e-04 -5.819095844e-02 -8.677330706e-02 4.84 5.909009540e-04 -5.557994023e-02 -8.310233592e-02 4.86 5.620914520e-04 -5.302179677e-02 -7.949502544e-02 4.88 5.346860906e-04 -5.051387663e-02 -7.594816843e-02 4.90 5.086164805e-04 -4.805359996e-02 -7.245863126e-02 4.92 4.800417056e-04 -4.628789412e-02 -7.001200938e-02 4.94 4.042594436e-04 -5.321062096e-02 -8.076339358e-02 4.96 1.988004416e-04 -8.224012803e-02 -1.250593513e-01 4.98 -7.560411000e-05 -1.019502138e-01 -1.550162086e-01 5.00 -5.710448252e-25 -2.305352466e-22 -2.430944087e-22 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00