# 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 = FeZr3 # 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 3.978115147e+02 nan nan 1.16 3.662415333e+02 nan nan 1.18 3.372411124e+02 nan nan 1.20 3.105800296e+02 nan nan 1.22 2.860547598e+02 nan nan 1.24 2.634845944e+02 nan nan 1.26 2.427071860e+02 nan nan 1.28 2.235742179e+02 3.453619393e+02 3.952990472e+02 1.30 2.059487912e+02 3.201886517e+02 3.671383664e+02 1.32 1.897047106e+02 2.968706151e+02 3.410405407e+02 1.34 1.747263368e+02 2.752576018e+02 3.168442818e+02 1.36 1.609082029e+02 2.552140182e+02 2.944004484e+02 1.38 1.481539019e+02 2.366183075e+02 2.735712348e+02 1.40 1.363752701e+02 2.193615226e+02 2.542299466e+02 1.42 1.254919403e+02 2.033445402e+02 2.362607358e+02 1.44 1.154309941e+02 1.884755684e+02 2.195576807e+02 1.46 1.061263081e+02 1.746694641e+02 2.040236222e+02 1.48 9.751817176e+01 1.618482012e+02 1.895692315e+02 1.50 8.955286393e+01 1.499406261e+02 1.761128690e+02 1.52 8.218166830e+01 1.388811384e+02 1.635803885e+02 1.54 7.536009655e+01 1.286082075e+02 1.519043287e+02 1.56 6.904746189e+01 1.190638410e+02 1.410232820e+02 1.58 6.320659864e+01 1.101940198e+02 1.308814597e+02 1.60 5.780331309e+01 1.019491078e+02 1.214281681e+02 1.62 5.280560404e+01 9.428357918e+01 1.126170192e+02 1.64 4.818336558e+01 8.715534360e+01 1.044049889e+02 1.66 4.390853856e+01 8.052517065e+01 9.675190665e+01 1.68 3.995522375e+01 7.435645712e+01 8.962040087e+01 1.70 3.629946427e+01 6.861539931e+01 8.297567574e+01 1.72 3.291881826e+01 6.327105152e+01 7.678503750e+01 1.74 2.979215798e+01 5.829522440e+01 7.101724603e+01 1.76 2.689973662e+01 5.366216730e+01 6.564229131e+01 1.78 2.422341834e+01 4.934822665e+01 6.063160360e+01 1.80 2.174678343e+01 4.533144753e+01 5.595864682e+01 1.82 1.945491966e+01 4.159125771e+01 5.159922328e+01 1.84 1.733418570e+01 3.810811095e+01 4.753147588e+01 1.86 1.537310933e+01 3.486351331e+01 4.373545839e+01 1.88 1.355992856e+01 3.184022310e+01 4.019276119e+01 1.90 1.188316043e+01 2.902250525e+01 3.688627458e+01 1.92 1.033227979e+01 2.639616422e+01 3.379998955e+01 1.94 8.897881160e+00 2.394836027e+01 3.091901021e+01 1.96 7.571584030e+00 2.166726560e+01 2.822951176e+01 1.98 6.345889052e+00 1.954184242e+01 2.571871608e+01 2.00 5.213978377e+00 1.756174592e+01 2.337481533e+01 2.02 4.169496102e+00 1.571810345e+01 2.118685872e+01 2.04 3.206416077e+00 1.400254414e+01 1.914467920e+01 2.06 2.318960624e+00 1.240646785e+01 1.723882297e+01 2.08 1.501601836e+00 1.092171511e+01 1.546144874e+01 2.10 7.491301399e-01 9.540645855e+00 1.380471987e+01 2.12 5.672973721e-02 8.256078472e+00 1.226069650e+01 2.14 -5.799794327e-01 7.061307066e+00 1.082185816e+01 2.16 -1.164973955e+00 5.950160771e+00 9.481268527e+00 2.18 -1.701867865e+00 4.917004407e+00 8.232572596e+00 2.20 -2.194001878e+00 3.956699981e+00 7.069917339e+00 2.22 -2.644515936e+00 3.064496184e+00 5.987946635e+00 2.24 -3.056403098e+00 2.235947220e+00 4.981659035e+00 2.26 -3.432531149e+00 1.466883316e+00 4.046360011e+00 2.28 -3.775651078e+00 7.534019205e-01 3.177606504e+00 2.30 -4.088380223e+00 9.194169245e-02 2.371203206e+00 2.32 -4.373193486e+00 -5.207643604e-01 1.623151731e+00 2.34 -4.632406523e+00 -1.087652149e+00 9.296137433e-01 2.36 -4.868138710e+00 -1.611411581e+00 2.868736599e-01 2.38 -5.082269609e+00 -2.094535017e+00 -3.086998740e-01 2.40 -5.276421550e+00 -2.539374388e+00 -8.606037067e-01 2.42 -5.451952705e+00 -2.948200593e+00 -1.372158359e+00 2.44 -5.609979529e+00 -3.323229835e+00 -1.846419116e+00 2.46 -5.751416633e+00 -3.666651958e+00 -2.286114387e+00 2.48 -5.877022443e+00 -3.980624608e+00 -2.693631616e+00 2.50 -5.987442606e+00 -4.267250769e+00 -3.071073274e+00 2.52 -6.083248703e+00 -4.528546133e+00 -3.420302082e+00 2.54 -6.164968533e+00 -4.766406130e+00 -3.743027677e+00 2.56 -6.233136449e+00 -4.982580304e+00 -4.040851900e+00 2.58 -6.288289327e+00 -5.178659464e+00 -4.315294572e+00 2.60 -6.331014150e+00 -5.356078176e+00 -4.567798015e+00 2.62 -6.361958976e+00 -5.516125439e+00 -4.799712355e+00 2.64 -6.382010883e+00 -5.659988795e+00 -5.012305480e+00 2.66 -6.391826388e+00 -5.788741184e+00 -5.206713679e+00 2.68 -6.392038123e+00 -5.903382978e+00 -5.383966984e+00 2.70 -6.383358290e+00 -6.004844865e+00 -5.544987920e+00 2.72 -6.366551002e+00 -6.093992152e+00 -5.690605949e+00 2.74 -6.342403409e+00 -6.171625060e+00 -5.821577323e+00 2.76 -6.311698419e+00 -6.238476867e+00 -5.938607591e+00 2.78 -6.275186787e+00 -6.295208385e+00 -6.042372763e+00 2.80 -6.233362549e+00 -6.342424029e+00 -6.133540896e+00 2.82 -6.186357746e+00 -6.380651425e+00 -6.212775947e+00 2.84 -6.134330830e+00 -6.410368957e+00 -6.280741648e+00 2.86 -6.077485018e+00 -6.432105382e+00 -6.338090524e+00 2.88 -6.016075533e+00 -6.446309530e+00 -6.385449669e+00 2.90 -5.950376881e+00 -6.453275367e+00 -6.423408946e+00 2.92 -5.880694109e+00 -6.453268386e+00 -6.452516862e+00 2.94 -5.807362820e+00 -6.446591857e+00 -6.473301299e+00 2.96 -5.730727777e+00 -6.433582842e+00 -6.486390060e+00 2.98 -5.651147664e+00 -6.414605380e+00 -6.492184739e+00 3.00 -5.568984412e+00 -6.390041858e+00 -6.491006336e+00 3.02 -5.484595169e+00 -6.360280931e+00 -6.483218162e+00 3.04 -5.398316554e+00 -6.325578860e+00 -6.469207922e+00 3.06 -5.310464002e+00 -6.286020977e+00 -6.449381770e+00 3.08 -5.221328737e+00 -6.241630973e+00 -6.424158670e+00 3.10 -5.131177005e+00 -6.192483389e+00 -6.393965911e+00 3.12 -5.040251593e+00 -6.138695125e+00 -6.359229249e+00 3.14 -4.948774157e+00 -6.080440358e+00 -6.320179074e+00 3.16 -4.856946789e+00 -6.017912198e+00 -6.276861179e+00 3.18 -4.764951049e+00 -5.951344970e+00 -6.229374180e+00 3.20 -4.672905496e+00 -5.881006533e+00 -6.177869044e+00 3.22 -4.580854456e+00 -5.807198383e+00 -6.122543892e+00 3.24 -4.488832196e+00 -5.730256662e+00 -6.063619571e+00 3.26 -4.396869834e+00 -5.650553125e+00 -6.001338365e+00 3.28 -4.305001474e+00 -5.568496582e+00 -5.935953960e+00 3.30 -4.213274141e+00 -5.484520133e+00 -5.867725922e+00 3.32 -4.121759061e+00 -5.399071277e+00 -5.796915463e+00 3.34 -4.030557089e+00 -5.312595818e+00 -5.723781579e+00 3.36 -3.939819798e+00 -5.225515809e+00 -5.648578162e+00 3.38 -3.849719717e+00 -5.138208752e+00 -5.571549113e+00 3.40 -3.760458487e+00 -5.050990397e+00 -5.492919712e+00 3.42 -3.672242537e+00 -4.964116528e+00 -5.412897857e+00 3.44 -3.585274563e+00 -4.877770519e+00 -5.331672033e+00 3.46 -3.499720595e+00 -4.792076873e+00 -5.249410791e+00 3.48 -3.415710931e+00 -4.707065169e+00 -5.166264256e+00 3.50 -3.333328837e+00 -4.622708186e+00 -5.082359390e+00 3.52 -3.252633190e+00 -4.538969356e+00 -4.997840740e+00 3.54 -3.173633676e+00 -4.455809243e+00 -4.912821903e+00 3.56 -3.096321264e+00 -4.373189435e+00 -4.827427106e+00 3.58 -3.020669809e+00 -4.291074886e+00 -4.741741070e+00 3.60 -2.946642269e+00 -4.209435117e+00 -4.655849617e+00 3.62 -2.874195400e+00 -4.128244665e+00 -4.569874757e+00 3.64 -2.803283190e+00 -4.047483188e+00 -4.483972869e+00 3.66 -2.733859305e+00 -3.967135565e+00 -4.398327388e+00 3.68 -2.665878814e+00 -3.887192247e+00 -4.313136692e+00 3.70 -2.599299294e+00 -3.807650090e+00 -4.228598898e+00 3.72 -2.534081454e+00 -3.728513776e+00 -4.144896284e+00 3.74 -2.470189352e+00 -3.649797851e+00 -4.062182266e+00 3.76 -2.407590329e+00 -3.571529249e+00 -3.980573173e+00 3.78 -2.346254775e+00 -3.493749989e+00 -3.900145700e+00 3.80 -2.286155835e+00 -3.416519514e+00 -3.820939537e+00 3.82 -2.227269112e+00 -3.339915997e+00 -3.742963617e+00 3.84 -2.169572438e+00 -3.264035872e+00 -3.666204149e+00 3.86 -2.113045710e+00 -3.188991011e+00 -3.590632740e+00 3.88 -2.057670791e+00 -3.114903357e+00 -3.516213482e+00 3.90 -2.003431429e+00 -3.041897404e+00 -3.442908433e+00 3.92 -1.950309242e+00 -2.970087337e+00 -3.370674890e+00 3.94 -1.898300161e+00 -2.899586077e+00 -3.299494876e+00 3.96 -1.847388080e+00 -2.830470897e+00 -3.229333174e+00 3.98 -1.797563108e+00 -2.762798823e+00 -3.160167839e+00 4.00 -1.748816349e+00 -2.696600525e+00 -3.091981765e+00 4.02 -1.701139577e+00 -2.631882232e+00 -3.024762009e+00 4.04 -1.654524892e+00 -2.568629712e+00 -2.958498972e+00 4.06 -1.608964400e+00 -2.506813324e+00 -2.893185556e+00 4.08 -1.564449919e+00 -2.446393247e+00 -2.828816368e+00 4.10 -1.520972738e+00 -2.387311446e+00 -2.765387011e+00 4.12 -1.478523441e+00 -2.329548846e+00 -2.702893481e+00 4.14 -1.437091779e+00 -2.273044044e+00 -2.641331690e+00 4.16 -1.396666609e+00 -2.217754299e+00 -2.580697113e+00 4.18 -1.357235870e+00 -2.163640849e+00 -2.520984572e+00 4.20 -1.318776440e+00 -2.110669303e+00 -2.462188153e+00 4.22 -1.281296772e+00 -2.058809597e+00 -2.404301271e+00 4.24 -1.244769817e+00 -2.008035657e+00 -2.347316902e+00 4.26 -1.209180353e+00 -1.958324904e+00 -2.291227961e+00 4.28 -1.174512517e+00 -1.909657684e+00 -2.236027866e+00 4.30 -1.140749884e+00 -1.862016694e+00 -2.181711246e+00 4.32 -1.107875550e+00 -1.815386441e+00 -2.128274785e+00 4.34 -1.075872199e+00 -1.769752749e+00 -2.075718138e+00 4.36 -1.044719860e+00 -1.725102347e+00 -2.024044830e+00 4.38 -1.014405588e+00 -1.681422510e+00 -1.973263014e+00 4.40 -9.849083658e-01 -1.638700777e+00 -1.923385949e+00 4.42 -9.562097611e-01 -1.596924726e+00 -1.874432028e+00 4.44 -9.282911394e-01 -1.556081791e+00 -1.826424242e+00 4.46 -9.011336797e-01 -1.516159137e+00 -1.779389013e+00 4.48 -8.747183830e-01 -1.477143558e+00 -1.733354415e+00 4.50 -8.490260750e-01 -1.439021409e+00 -1.688347960e+00 4.52 -8.240374025e-01 -1.401778571e+00 -1.644377788e+00 4.54 -7.997328265e-01 -1.365400421e+00 -1.601498775e+00 4.56 -7.760926127e-01 -1.329871841e+00 -1.559703229e+00 4.58 -7.530968203e-01 -1.295177230e+00 -1.518994936e+00 4.60 -7.307252913e-01 -1.261300543e+00 -1.479368848e+00 4.62 -7.089576406e-01 -1.228225343e+00 -1.440811421e+00 4.64 -6.877732499e-01 -1.195934869e+00 -1.403301584e+00 4.66 -6.671512645e-01 -1.164412122e+00 -1.366812147e+00 4.68 -6.470705946e-01 -1.133639955e+00 -1.331311417e+00 4.70 -6.275099230e-01 -1.103601179e+00 -1.296764844e+00 4.72 -6.084477192e-01 -1.074278665e+00 -1.263136521e+00 4.74 -5.898622613e-01 -1.045655444e+00 -1.230390470e+00 4.76 -5.717316698e-01 -1.017714800e+00 -1.198491648e+00 4.78 -5.540339538e-01 -9.904403392e-01 -1.167406677e+00 4.80 -5.367470784e-01 -9.638072370e-01 -1.137104333e+00 4.82 -5.198490567e-01 -9.378189912e-01 -1.107555798e+00 4.84 -5.033180776e-01 -9.124498519e-01 -1.078734754e+00 4.86 -4.871326784e-01 -8.876850499e-01 -1.050617331e+00 4.88 -4.712719736e-01 -8.635101472e-01 -1.023181962e+00 4.90 -4.557159514e-01 -8.399109738e-01 -9.964091757e-01 4.92 -4.404458457e-01 -8.168735505e-01 -9.702813484e-01 4.94 -4.254445880e-01 -7.943840051e-01 -9.447824455e-01 4.96 -4.106973359e-01 -7.724284867e-01 -9.198977635e-01 4.98 -3.961920639e-01 -7.509930837e-01 -8.956136869e-01 5.00 -3.819201881e-01 -7.300637513e-01 -8.719174685e-01 5.02 -3.678771807e-01 -7.096262513e-01 -8.487970362e-01 5.04 -3.540631127e-01 -6.896661095e-01 -8.262408305e-01 5.06 -3.404830504e-01 -6.701685910e-01 -8.042376701e-01 5.08 -3.271472225e-01 -6.511186997e-01 -7.827766451e-01 5.10 -3.140708787e-01 -6.325012015e-01 -7.618470350e-01 5.12 -3.012737781e-01 -6.143006770e-01 -7.414382476e-01 5.14 -2.887792815e-01 -5.965016048e-01 -7.215397762e-01 5.16 -2.766130661e-01 -5.790884816e-01 -7.021411702e-01 5.18 -2.648015387e-01 -5.620459803e-01 -6.832320182e-01 5.20 -2.533700752e-01 -5.453591509e-01 -6.648019382e-01 5.22 -2.423412498e-01 -5.290136656e-01 -6.468405755e-01 5.24 -2.317332327e-01 -5.129961078e-01 -6.293376030e-01 5.26 -2.215585159e-01 -4.972943016e-01 -6.122827256e-01 5.28 -2.118230884e-01 -4.818976718e-01 -5.956656847e-01 5.30 -2.025261168e-01 -4.667976213e-01 -5.794762640e-01 5.32 -1.936601271e-01 -4.519879019e-01 -5.637042943e-01 5.34 -1.852116237e-01 -4.374649493e-01 -5.483396576e-01 5.36 -1.771620441e-01 -4.232281461e-01 -5.333722900e-01 5.38 -1.694889293e-01 -4.092799713e-01 -5.187921831e-01 5.40 -1.621671912e-01 -3.956259974e-01 -5.045893835e-01 5.42 -1.551703767e-01 -3.822746992e-01 -4.907539908e-01 5.44 -1.484718494e-01 -3.692370551e-01 -4.772761535e-01 5.46 -1.420458373e-01 -3.565259384e-01 -4.641460633e-01 5.48 -1.358683171e-01 -3.441553235e-01 -4.513539477e-01 5.50 -1.299177194e-01 -3.321393554e-01 -4.388900599e-01 5.52 -1.241754526e-01 -3.204913524e-01 -4.267446682e-01 5.54 -1.186262462e-01 -3.092228290e-01 -4.149033281e-01 5.56 -1.132583155e-01 -2.983426226e-01 -4.033664279e-01 5.58 -1.080633523e-01 -2.878562017e-01 -3.921186740e-01 5.60 -1.030363460e-01 -2.777652061e-01 -3.811502656e-01 5.62 -9.817524566e-02 -2.680672462e-01 -3.704513345e-01 5.64 -9.348047896e-02 -2.587559531e-01 -3.600119258e-01 5.66 -8.895435580e-02 -2.498212495e-01 -3.498219774e-01 5.68 -8.460039252e-02 -2.412497887e-01 -3.398712998e-01 5.70 -8.042260307e-02 -2.330255044e-01 -3.301495556e-01 5.72 -7.642480767e-02 -2.251302119e-01 -3.206462396e-01 5.74 -7.261000917e-02 -2.175442073e-01 -3.113506609e-01 5.76 -6.897988024e-02 -2.102468270e-01 -3.022519266e-01 5.78 -6.553439303e-02 -2.032169394e-01 -2.933389298e-01 5.80 -6.227160481e-02 -1.964333552e-01 -2.846003428e-01 5.82 -5.918759871e-02 -1.898751529e-01 -2.760246165e-01 5.84 -5.627656737e-02 -1.835219244e-01 -2.675999897e-01 5.86 -5.353100800e-02 -1.773539524e-01 -2.593145091e-01 5.88 -5.094199698e-02 -1.713523301e-01 -2.511560644e-01 5.90 -4.849923794e-02 -1.654990410e-01 -2.431124403e-01 5.92 -4.619195744e-02 -1.597770113e-01 -2.351713902e-01 5.94 -4.400917157e-02 -1.541701489e-01 -2.273207343e-01 5.96 -4.193967282e-02 -1.486633808e-01 -2.195484867e-01 5.98 -3.997233402e-02 -1.432426991e-01 -2.118430145e-01 6.00 -3.809636119e-02 -1.378952226e-01 -2.041932326e-01