# 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 = Co3Ni # 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 1.449878643e+02 nan nan 1.16 1.316433332e+02 nan nan 1.18 1.194875674e+02 nan nan 1.20 1.084109009e+02 nan nan 1.22 9.831422814e+01 nan nan 1.24 8.910775856e+01 nan nan 1.26 8.071018573e+01 nan nan 1.28 7.304795413e+01 1.223802961e+02 1.435021137e+02 1.30 6.605510049e+01 1.118961450e+02 1.316035008e+02 1.32 5.967269257e+01 1.022699699e+02 1.206564401e+02 1.34 5.384705329e+01 9.342658713e+01 1.105824980e+02 1.36 4.852810811e+01 8.529882589e+01 1.013107500e+02 1.38 4.366942737e+01 7.782728229e+01 9.277545210e+01 1.40 3.922936173e+01 7.095892040e+01 8.491534006e+01 1.42 3.517135914e+01 6.464547859e+01 7.767432462e+01 1.44 3.146291169e+01 5.884203808e+01 7.100182251e+01 1.46 2.807423728e+01 5.350629930e+01 6.485208684e+01 1.48 2.497802270e+01 4.859890041e+01 5.918330169e+01 1.50 2.215175441e+01 4.408407792e+01 5.395695297e+01 1.52 1.957312784e+01 3.992975175e+01 4.913758753e+01 1.54 1.722179757e+01 3.610704452e+01 4.469287533e+01 1.56 1.507956254e+01 3.258974037e+01 4.059355701e+01 1.58 1.312967832e+01 2.935386396e+01 3.681306618e+01 1.60 1.135633010e+01 2.637733816e+01 3.332709295e+01 1.62 9.744418483e+00 2.364063434e+01 3.011326308e+01 1.64 8.279642612e+00 2.112699615e+01 2.715080923e+01 1.66 6.948732563e+00 1.881875876e+01 2.442054819e+01 1.68 5.739651601e+00 1.669948528e+01 2.190644854e+01 1.70 4.641677916e+00 1.475412590e+01 1.959172245e+01 1.72 3.645341730e+00 1.296893793e+01 1.746056380e+01 1.74 2.742223178e+00 1.133124115e+01 1.549874094e+01 1.76 1.924686371e+00 9.829198655e+00 1.369350081e+01 1.78 1.185661711e+00 8.451810810e+00 1.203335426e+01 1.80 5.185277738e-01 7.189080502e+00 1.050781539e+01 1.82 -8.292606495e-02 6.032142590e+00 9.107138073e+00 1.84 -6.244782437e-01 4.973208091e+00 7.822078786e+00 1.86 -1.111409952e+00 4.005336854e+00 6.643735033e+00 1.88 -1.548445005e+00 3.122144395e+00 5.563527988e+00 1.90 -1.939758352e+00 2.317542797e+00 4.573354888e+00 1.92 -2.289067960e+00 1.585579260e+00 3.665821069e+00 1.94 -2.599760512e+00 9.204027089e-01 2.834378582e+00 1.96 -2.874984826e+00 3.163474818e-01 2.073269015e+00 1.98 -3.117682078e+00 -2.319210011e-01 1.377327910e+00 2.00 -3.330570222e+00 -7.292687941e-01 7.417869383e-01 2.02 -3.516125127e+00 -1.180015982e+00 1.621672654e-01 2.04 -3.676590786e+00 -1.587941644e+00 -3.657254351e-01 2.06 -3.814021605e+00 -1.956360202e+00 -8.457521169e-01 2.08 -3.930338307e+00 -2.288229906e+00 -1.281401034e+00 2.10 -4.027375898e+00 -2.586251673e+00 -1.675798541e+00 2.12 -4.106909776e+00 -2.852936846e+00 -2.031771840e+00 2.14 -4.170656263e+00 -3.090642780e+00 -2.351940166e+00 2.16 -4.220253935e+00 -3.301584051e+00 -2.638808349e+00 2.18 -4.257279107e+00 -3.487829745e+00 -2.894843391e+00 2.20 -4.283284317e+00 -3.651298711e+00 -3.122517637e+00 2.22 -4.299351310e+00 -3.793762926e+00 -3.324303295e+00 2.24 -4.306438079e+00 -3.916862196e+00 -3.502613754e+00 2.26 -4.305415603e+00 -4.022126008e+00 -3.659710655e+00 2.28 -4.297053760e+00 -4.110996090e+00 -3.797616644e+00 2.30 -4.282019250e+00 -4.184845056e+00 -3.918071272e+00 2.32 -4.260802104e+00 -4.244987715e+00 -4.022541212e+00 2.34 -4.233422969e+00 -4.292681294e+00 -4.112268340e+00 2.36 -4.199820942e+00 -4.329112687e+00 -4.188329680e+00 2.38 -4.160047736e+00 -4.355462719e+00 -4.251690597e+00 2.40 -4.114255373e+00 -4.372765076e+00 -4.303244694e+00 2.42 -4.062687498e+00 -4.381702189e+00 -4.343841651e+00 2.44 -4.005673864e+00 -4.382895765e+00 -4.374321176e+00 2.46 -3.943623800e+00 -4.376926927e+00 -4.395636319e+00 2.48 -3.877013192e+00 -4.364352348e+00 -4.408470866e+00 2.50 -3.806361619e+00 -4.345718480e+00 -4.413455403e+00 2.52 -3.732202247e+00 -4.321551551e+00 -4.411234320e+00 2.54 -3.655053543e+00 -4.292094995e+00 -4.402447073e+00 2.56 -3.575403408e+00 -4.257435853e+00 -4.387715677e+00 2.58 -3.493710825e+00 -4.217785601e+00 -4.367637974e+00 2.60 -3.410421013e+00 -4.173464022e+00 -4.342704517e+00 2.62 -3.325983313e+00 -4.124859900e+00 -4.313054774e+00 2.64 -3.240860044e+00 -4.072385492e+00 -4.278783199e+00 2.66 -3.155519179e+00 -4.016437124e+00 -4.240026160e+00 2.68 -3.070411640e+00 -3.957373247e+00 -4.196939091e+00 2.70 -2.985941858e+00 -3.895512739e+00 -4.149684306e+00 2.72 -2.902443647e+00 -3.831146864e+00 -4.098428583e+00 2.74 -2.820169973e+00 -3.764554220e+00 -4.043348162e+00 2.76 -2.739297394e+00 -3.696010117e+00 -3.984638636e+00 2.78 -2.659939500e+00 -3.625787156e+00 -3.922527725e+00 2.80 -2.582162416e+00 -3.554148806e+00 -3.857288784e+00 2.82 -2.505998193e+00 -3.481340431e+00 -3.789251827e+00 2.84 -2.431455264e+00 -3.407582176e+00 -3.718807405e+00 2.86 -2.358526653e+00 -3.333066250e+00 -3.646398471e+00 2.88 -2.287196520e+00 -3.257959043e+00 -3.572497906e+00 2.90 -2.217445078e+00 -3.182407068e+00 -3.497574646e+00 2.92 -2.149251793e+00 -3.106545315e+00 -3.422056813e+00 2.94 -2.082596993e+00 -3.030506714e+00 -3.346302468e+00 2.96 -2.017462306e+00 -2.954431569e+00 -3.270585598e+00 2.98 -1.953830440e+00 -2.878475611e+00 -3.195098725e+00 3.00 -1.891684791e+00 -2.802814888e+00 -3.119967782e+00 3.02 -1.831009151e+00 -2.727645523e+00 -3.045272476e+00 3.04 -1.771787632e+00 -2.653176997e+00 -2.971066233e+00 3.06 -1.714004744e+00 -2.579619318e+00 -2.897392290e+00 3.08 -1.657645516e+00 -2.507166741e+00 -2.824294889e+00 3.10 -1.602695546e+00 -2.435982366e+00 -2.751825906e+00 3.12 -1.549140914e+00 -2.366187850e+00 -2.680047781e+00 3.14 -1.496967968e+00 -2.297860562e+00 -2.609033508e+00 3.16 -1.446163035e+00 -2.231037787e+00 -2.538864296e+00 3.18 -1.396712137e+00 -2.165725604e+00 -2.469625469e+00 3.20 -1.348600759e+00 -2.101909384e+00 -2.401401262e+00 3.22 -1.301813697e+00 -2.039563441e+00 -2.334269427e+00 3.24 -1.256334976e+00 -1.978658482e+00 -2.268296558e+00 3.26 -1.212147817e+00 -1.919166468e+00 -2.203534957e+00 3.28 -1.169234646e+00 -1.861063182e+00 -2.140021400e+00 3.30 -1.127577121e+00 -1.804329033e+00 -2.077777771e+00 3.32 -1.087156185e+00 -1.748948694e+00 -2.016813171e+00 3.34 -1.047952115e+00 -1.694910062e+00 -1.957126965e+00 3.36 -1.009944571e+00 -1.642202931e+00 -1.898712279e+00 3.38 -9.731126062e-01 -1.590817634e+00 -1.841559584e+00 3.40 -9.374346200e-01 -1.540743821e+00 -1.785660097e+00 3.42 -9.028882562e-01 -1.491969474e+00 -1.731008763e+00 3.44 -8.694502365e-01 -1.444480180e+00 -1.677606540e+00 3.46 -8.370961549e-01 -1.398258663e+00 -1.625461623e+00 3.48 -8.058002562e-01 -1.353284560e+00 -1.574589229e+00 3.50 -7.755352231e-01 -1.309534395e+00 -1.525009740e+00 3.52 -7.462719935e-01 -1.266981718e+00 -1.476745280e+00 3.54 -7.179796179e-01 -1.225597363e+00 -1.429815283e+00 3.56 -6.906251656e-01 -1.185349804e+00 -1.384231935e+00 3.58 -6.641736769e-01 -1.146205573e+00 -1.339996508e+00 3.60 -6.385881606e-01 -1.108129733e+00 -1.297097354e+00 3.62 -6.138296345e-01 -1.071086402e+00 -1.255509874e+00 3.64 -5.898572103e-01 -1.035039342e+00 -1.215198239e+00 3.66 -5.666282259e-01 -9.999526243e-01 -1.176118283e+00 3.68 -5.440984341e-01 -9.657913802e-01 -1.138220875e+00 3.70 -5.222222602e-01 -9.325226386e-01 -1.101455160e+00 3.72 -5.009531481e-01 -9.001162257e-01 -1.065771280e+00 3.74 -4.802440214e-01 -8.685456731e-01 -1.031122369e+00 3.76 -4.600478942e-01 -8.377890537e-01 -9.974658206e-01 3.78 -4.403186734e-01 -8.078296367e-01 -9.647638721e-01 3.80 -4.210121996e-01 -7.786562396e-01 -9.329836573e-01 3.82 -4.020875681e-01 -7.502631531e-01 -9.020968413e-01 3.84 -3.835087530e-01 -7.226495479e-01 -8.720789850e-01 3.86 -3.652465244e-01 -6.958183258e-01 -8.429087556e-01 3.88 -3.472805855e-01 -6.697744637e-01 -8.145670872e-01 3.90 -3.296017801e-01 -6.445229950e-01 -7.870363715e-01 3.92 -3.122141278e-01 -6.200668611e-01 -7.602997335e-01 3.94 -2.951363540e-01 -5.964049105e-01 -7.343404271e-01 3.96 -2.784025258e-01 -5.735303119e-01 -7.091413603e-01 3.98 -2.620614117e-01 -5.514295821e-01 -6.846847498e-01 4.00 -2.461742782e-01 -5.300823149e-01 -6.609518906e-01 4.02 -2.308110442e-01 -5.094615875e-01 -6.379230228e-01 4.04 -2.160449996e-01 -4.895349267e-01 -6.155772769e-01 4.06 -2.019466104e-01 -4.702656723e-01 -5.938926798e-01 4.08 -1.885771928e-01 -4.516145687e-01 -5.728462070e-01 4.10 -1.759833441e-01 -4.335414458e-01 -5.524138744e-01 4.12 -1.641929300e-01 -4.160068883e-01 -5.325708625e-01 4.14 -1.532131458e-01 -3.989738225e-01 -5.132916760e-01 4.16 -1.430307804e-01 -3.824089745e-01 -4.945503419e-01 4.18 -1.336144219e-01 -3.662841435e-01 -4.763206543e-01 4.20 -1.249180720e-01 -3.505772219e-01 -4.585764770e-01 4.22 -1.168855136e-01 -3.352728720e-01 -4.412921123e-01 4.24 -1.094548165e-01 -3.203627620e-01 -4.244427469e-01 4.26 -1.025625087e-01 -3.058452805e-01 -4.080049774e-01 4.28 -9.614711194e-02 -2.917247036e-01 -3.919574119e-01 4.30 -9.015190706e-02 -2.780098686e-01 -3.762813316e-01 4.32 -8.452690524e-02 -2.647125052e-01 -3.609613796e-01 4.34 -7.923006456e-02 -2.518454503e-01 -3.459862254e-01 4.36 -7.422781419e-02 -2.394209975e-01 -3.313491334e-01 4.38 -6.949495015e-02 -2.274495991e-01 -3.170483499e-01 4.40 -6.501396751e-02 -2.159390384e-01 -3.030872125e-01 4.42 -6.077390827e-02 -2.048940720e-01 -2.894738970e-01 4.44 -5.676883374e-02 -1.943164299e-01 -2.762207403e-01 4.46 -5.299606991e-02 -1.842050019e-01 -2.633431271e-01 4.48 -4.945440792e-02 -1.745560349e-01 -2.508579874e-01 4.50 -4.614245191e-02 -1.653632213e-01 -2.387820177e-01 4.52 -4.305728522e-02 -1.566176326e-01 -2.271297977e-01 4.54 -4.019356964e-02 -1.483075338e-01 -2.159120036e-01 4.56 -3.754312153e-02 -1.404181657e-01 -2.051339148e-01 4.58 -3.509492775e-02 -1.329315989e-01 -1.947943789e-01 4.60 -3.283532009e-02 -1.258267485e-01 -1.848853287e-01 4.62 -3.074893273e-02 -1.190796025e-01 -1.753918725e-01 4.64 -2.881945153e-02 -1.126636729e-01 -1.662929105e-01 4.66 -2.702997777e-02 -1.065506419e-01 -1.575621764e-01 4.68 -2.536370970e-02 -1.007111532e-01 -1.491695826e-01 4.70 -2.380450394e-02 -9.511569199e-02 -1.410827443e-01 4.72 -2.233730809e-02 -8.973549912e-02 -1.332685762e-01 4.74 -2.094847591e-02 -8.454347832e-02 -1.256948803e-01 4.76 -1.962597471e-02 -7.951506482e-02 -1.183318655e-01 4.78 -1.835945026e-02 -7.462903127e-02 -1.111535566e-01 4.80 -1.714049925e-02 -6.986820720e-02 -1.041390538e-01 4.82 -1.596264198e-02 -6.522008393e-02 -9.727359836e-02 4.84 -1.482129220e-02 -6.067726338e-02 -9.054938779e-02 4.86 -1.371371196e-02 -5.623770570e-02 -8.396606743e-02 4.88 -1.263891308e-02 -5.190472039e-02 -7.753082181e-02 4.90 -1.159749599e-02 -4.768665242e-02 -7.125799354e-02 4.92 -1.059141924e-02 -4.359623361e-02 -6.516818671e-02 4.94 -9.623700255e-03 -3.964960190e-02 -5.928686005e-02 4.96 -8.698057759e-03 -3.586502889e-02 -5.364248044e-02 4.98 -7.818517413e-03 -3.226128176e-02 -4.826437648e-02 5.00 -6.989011236e-03 -2.885649464e-02 -4.318048817e-02 5.02 -6.213006210e-03 -2.566662654e-02 -3.841524476e-02 5.04 -5.493195894e-03 -2.270413299e-02 -3.398778612e-02 5.06 -4.831281244e-03 -1.997712015e-02 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