# 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 = AgCo3 # 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 1.933389403e+02 nan nan 1.16 1.763850069e+02 nan nan 1.18 1.609058499e+02 nan nan 1.20 1.467662382e+02 nan nan 1.22 1.338437592e+02 nan nan 1.24 1.220278135e+02 nan nan 1.26 1.112185972e+02 nan nan 1.28 1.013257413e+02 1.647291279e+02 1.915125011e+02 1.30 9.226781501e+01 1.513434944e+02 1.763963566e+02 1.32 8.397210646e+01 1.390242639e+02 1.624611060e+02 1.34 7.637332912e+01 1.276815515e+02 1.496095048e+02 1.36 6.941180629e+01 1.172337094e+02 1.377533986e+02 1.38 6.303255676e+01 1.076069903e+02 1.268116979e+02 1.40 5.718542891e+01 9.873468810e+01 1.167095040e+02 1.42 5.182516343e+01 9.055601466e+01 1.073784989e+02 1.44 4.691072178e+01 8.301483906e+01 9.875708578e+01 1.46 4.240435791e+01 7.605893837e+01 9.078955237e+01 1.48 3.827119323e+01 6.964020819e+01 8.342498517e+01 1.50 3.448248668e+01 6.371518240e+01 7.661650837e+01 1.52 3.101146512e+01 5.824491229e+01 7.032086872e+01 1.54 2.783167909e+01 5.319421589e+01 6.449825481e+01 1.56 2.491946503e+01 4.853095354e+01 5.911211968e+01 1.58 2.225342812e+01 4.422560177e+01 5.412889860e+01 1.60 1.981388227e+01 4.025094806e+01 4.951776472e+01 1.62 1.758247210e+01 3.658220592e+01 4.525045351e+01 1.64 1.554208073e+01 3.319934596e+01 4.130099896e+01 1.66 1.367693753e+01 3.008111348e+01 3.764545296e+01 1.68 1.197271017e+01 2.720658077e+01 3.426425531e+01 1.70 1.041644086e+01 2.455650543e+01 3.113888984e+01 1.72 8.996341476e+00 2.211338364e+01 2.825039466e+01 1.74 7.701541344e+00 1.986127140e+01 2.558146649e+01 1.76 6.521885887e+00 1.778551903e+01 2.311623442e+01 1.78 5.447836475e+00 1.587262975e+01 2.084004411e+01 1.80 4.470450572e+00 1.411027482e+01 1.873931231e+01 1.82 3.581390459e+00 1.248732248e+01 1.680139063e+01 1.84 2.772942446e+00 1.099375262e+01 1.501438757e+01 1.86 2.038057652e+00 9.620459056e+00 1.336698329e+01 1.88 1.370400139e+00 8.359013615e+00 1.184834187e+01 1.90 7.643588042e-01 7.201454745e+00 1.044820249e+01 1.92 2.149952955e-01 6.140139362e+00 9.157100224e+00 1.94 -2.820595993e-01 5.167685711e+00 7.966546677e+00 1.96 -7.307250674e-01 4.277012288e+00 6.869034021e+00 1.98 -1.134574077e+00 3.461440647e+00 5.857875923e+00 2.00 -1.496909777e+00 2.714808925e+00 4.926998020e+00 2.02 -1.820816808e+00 2.031548107e+00 4.070776643e+00 2.04 -2.109195376e+00 1.406690220e+00 3.283961327e+00 2.06 -2.364786415e+00 8.358056366e-01 2.561665116e+00 2.08 -2.590194104e+00 3.148985079e-01 1.899381502e+00 2.10 -2.787907411e+00 -1.596988438e-01 1.292987078e+00 2.12 -2.960316584e+00 -5.914048567e-01 7.387084378e-01 2.14 -3.109718310e+00 -9.834324474e-01 2.330551718e-01 2.16 -3.238307009e+00 -1.338800988e+00 -2.272653957e-01 2.18 -3.348155325e+00 -1.660326587e+00 -6.454310114e-01 2.20 -3.441275172e+00 -1.950605464e+00 -1.024562123e+00 2.22 -3.519483424e+00 -2.212005555e+00 -1.367733491e+00 2.24 -3.584123788e+00 -2.446674566e+00 -1.677931846e+00 2.26 -3.636392687e+00 -2.656562677e+00 -1.957976133e+00 2.28 -3.677344357e+00 -2.843452183e+00 -2.210438197e+00 2.30 -3.707903084e+00 -3.008986263e+00 -2.437600278e+00 2.32 -3.728888504e+00 -3.154692298e+00 -2.641461437e+00 2.34 -3.740993998e+00 -3.281998324e+00 -2.823779328e+00 2.36 -3.744627225e+00 -3.392243651e+00 -2.986124456e+00 2.38 -3.740155588e+00 -3.486685959e+00 -3.129930310e+00 2.40 -3.727997436e+00 -3.566597200e+00 -3.256533094e+00 2.42 -3.708612299e+00 -3.633129733e+00 -3.367201238e+00 2.44 -3.682493176e+00 -3.687172404e+00 -3.463155899e+00 2.46 -3.650158880e+00 -3.729605208e+00 -3.545618583e+00 2.48 -3.612243842e+00 -3.761304932e+00 -3.615851147e+00 2.50 -3.569262455e+00 -3.783144302e+00 -3.674809900e+00 2.52 -3.521575681e+00 -3.795991316e+00 -3.723384905e+00 2.54 -3.469551142e+00 -3.800703410e+00 -3.762406066e+00 2.56 -3.413551228e+00 -3.797980928e+00 -3.792622332e+00 2.58 -3.353935517e+00 -3.788407180e+00 -3.814695853e+00 2.60 -3.291074703e+00 -3.772620810e+00 -3.829209140e+00 2.62 -3.225372317e+00 -3.751288143e+00 -3.836650229e+00 2.64 -3.157279554e+00 -3.725056163e+00 -3.837287497e+00 2.66 -3.087278889e+00 -3.694508461e+00 -3.831330030e+00 2.68 -3.015862230e+00 -3.660142906e+00 -3.819011435e+00 2.70 -2.943502028e+00 -3.622464745e+00 -3.800586681e+00 2.72 -2.870625150e+00 -3.581721412e+00 -3.776329968e+00 2.74 -2.797598643e+00 -3.538048571e+00 -3.746535165e+00 2.76 -2.724728902e+00 -3.491574420e+00 -3.711524346e+00 2.78 -2.652269108e+00 -3.442430019e+00 -3.671753141e+00 2.80 -2.580428330e+00 -3.390754879e+00 -3.627559527e+00 2.82 -2.509378627e+00 -3.336698364e+00 -3.579277169e+00 2.84 -2.439260002e+00 -3.280419384e+00 -3.527325437e+00 2.86 -2.370184590e+00 -3.222090680e+00 -3.472199500e+00 2.88 -2.302240899e+00 -3.161891519e+00 -3.414445743e+00 2.90 -2.235497878e+00 -3.100002987e+00 -3.354624128e+00 2.92 -2.170008168e+00 -3.036610169e+00 -3.293266310e+00 2.94 -2.105810239e+00 -2.971906541e+00 -3.230844978e+00 2.96 -2.042929742e+00 -2.906100022e+00 -3.167744948e+00 2.98 -1.981380784e+00 -2.839419274e+00 -3.104254356e+00 3.00 -1.921167665e+00 -2.772117939e+00 -3.040575622e+00 3.02 -1.862287268e+00 -2.704474132e+00 -2.976844878e+00 3.04 -1.804731827e+00 -2.636783074e+00 -2.913153220e+00 3.06 -1.748491636e+00 -2.569342703e+00 -2.849565265e+00 3.08 -1.693557206e+00 -2.502434669e+00 -2.786132912e+00 3.10 -1.639920598e+00 -2.436305302e+00 -2.722904162e+00 3.12 -1.587575838e+00 -2.371151407e+00 -2.659927811e+00 3.14 -1.536518541e+00 -2.307114069e+00 -2.597255229e+00 3.16 -1.486744984e+00 -2.244280808e+00 -2.534940287e+00 3.18 -1.438250906e+00 -2.182694083e+00 -2.473038304e+00 3.20 -1.391030315e+00 -2.122362981e+00 -2.411604598e+00 3.22 -1.345074496e+00 -2.063275223e+00 -2.350693009e+00 3.24 -1.300371355e+00 -2.005407503e+00 -2.290354610e+00 3.26 -1.256905153e+00 -1.948733268e+00 -2.230636734e+00 3.28 -1.214656626e+00 -1.893227842e+00 -2.171582392e+00 3.30 -1.173603434e+00 -1.838871244e+00 -2.113230115e+00 3.32 -1.133720857e+00 -1.785649244e+00 -2.055614286e+00 3.34 -1.094982628e+00 -1.733553221e+00 -1.998765985e+00 3.36 -1.057361797e+00 -1.682579288e+00 -1.942714369e+00 3.38 -1.020831513e+00 -1.632727051e+00 -1.887488544e+00 3.40 -9.853656497e-01 -1.583998266e+00 -1.833119817e+00 3.42 -9.509392325e-01 -1.536395557e+00 -1.779644036e+00 3.44 -9.175286397e-01 -1.489921274e+00 -1.727103612e+00 3.46 -8.851115935e-01 -1.444576546e+00 -1.675548650e+00 3.48 -8.536669861e-01 -1.400360527e+00 -1.625036624e+00 3.50 -8.231745745e-01 -1.357269827e+00 -1.575630179e+00 3.52 -7.936145966e-01 -1.315298102e+00 -1.527393061e+00 3.54 -7.649673557e-01 -1.274435803e+00 -1.480384666e+00 3.56 -7.372128125e-01 -1.234670055e+00 -1.434654195e+00 3.58 -7.103302163e-01 -1.195984667e+00 -1.390235596e+00 3.60 -6.842977996e-01 -1.158360266e+00 -1.347144286e+00 3.62 -6.590925512e-01 -1.121774566e+00 -1.305376206e+00 3.64 -6.346900720e-01 -1.086202745e+00 -1.264909129e+00 3.66 -6.110645154e-01 -1.051617950e+00 -1.225705732e+00 3.68 -5.881886029e-01 -1.017991884e+00 -1.187717647e+00 3.70 -5.660337053e-01 -9.852954528e-01 -1.150889802e+00 3.72 -5.445699794e-01 -9.534994188e-01 -1.115164431e+00 3.74 -5.237665512e-01 -9.225750148e-01 -1.080484441e+00 3.76 -5.035917453e-01 -8.924944577e-01 -1.046795935e+00 3.78 -4.840133687e-01 -8.632313236e-01 -1.014049910e+00 3.80 -4.649990686e-01 -8.347607563e-01 -9.822031691e-01 3.82 -4.465167938e-01 -8.070595045e-01 -9.512186161e-01 3.84 -4.285353971e-01 -7.801058023e-01 -9.210650414e-01 3.86 -4.110254100e-01 -7.538791241e-01 -8.917165741e-01 3.88 -3.939600119e-01 -7.283598551e-01 -8.631519232e-01 3.90 -3.773161786e-01 -7.035289197e-01 -8.353535243e-01 3.92 -3.610759514e-01 -6.793674098e-01 -8.083066782e-01 3.94 -3.452277014e-01 -6.558562500e-01 -7.819987480e-01 3.96 -3.297671878e-01 -6.329759222e-01 -7.564184436e-01 3.98 -3.146981663e-01 -6.107062810e-01 -7.315552267e-01 4.00 -3.000322704e-01 -5.890264725e-01 -7.073988304e-01 4.02 -2.857879514e-01 -5.679149758e-01 -6.839388945e-01 4.04 -2.719883950e-01 -5.473497810e-01 -6.611647034e-01 4.06 -2.586585350e-01 -5.273087183e-01 -6.390650122e-01 4.08 -2.458215180e-01 -5.077699495e-01 -6.176279467e-01 4.10 -2.334951427e-01 -4.887126242e-01 -5.968409604e-01 4.12 -2.216888619e-01 -4.701176998e-01 -5.766908341e-01 4.14 -2.104018350e-01 -4.519688800e-01 -5.571637070e-01 4.16 -1.996223036e-01 -4.342536374e-01 -5.382451268e-01 4.18 -1.893282956e-01 -4.169642121e-01 -5.199201105e-01 4.20 -1.794894275e-01 -4.000984612e-01 -5.021732091e-01 4.22 -1.700694415e-01 -3.836604030e-01 -4.849885706e-01 4.24 -1.610290792e-01 -3.676602880e-01 -4.683499981e-01 4.26 -1.523289569e-01 -3.521140589e-01 -4.522409988e-01 4.28 -1.439321945e-01 -3.370421307e-01 -4.366448244e-01 4.30 -1.358066495e-01 -3.224675277e-01 -4.215445002e-01 4.32 -1.279266717e-01 -3.084135431e-01 -4.069228433e-01 4.34 -1.202743303e-01 -2.949011943e-01 -3.927624702e-01 4.36 -1.128400740e-01 -2.819468092e-01 -3.790457938e-01 4.38 -1.056227923e-01 -2.695600659e-01 -3.657550113e-01 4.40 -9.862924424e-02 -2.577427238e-01 -3.528720829e-01 4.42 -9.187287540e-02 -2.464881498e-01 -3.403787040e-01 4.44 -8.537208004e-02 -2.357816066e-01 -3.282562713e-01 4.46 -7.914805038e-02 -2.256011537e-01 -3.164858462e-01 4.48 -7.322241894e-02 -2.159189515e-01 -3.050481172e-01 4.50 -6.761494323e-02 -2.067027480e-01 -2.939233652e-01 4.52 -6.234148132e-02 -1.979173608e-01 -2.830914346e-01 4.54 -5.741246349e-02 -1.895260177e-01 -2.725317243e-01 4.56 -5.283198006e-02 -1.814914817e-01 -2.622231840e-01 4.58 -4.859751445e-02 -1.737769339e-01 -2.521443535e-01 4.60 -4.470001417e-02 -1.663466296e-01 -2.422734332e-01 4.62 -4.112511205e-02 -1.591663646e-01 -2.325884064e-01 4.64 -3.785425220e-02 -1.522038018e-01 -2.230672276e-01 4.66 -3.486547073e-02 -1.454287116e-01 -2.136880891e-01 4.68 -3.213467274e-02 -1.388131758e-01 -2.044297847e-01 4.70 -2.963680561e-02 -1.323317985e-01 -1.952721808e-01 4.72 -2.734687229e-02 -1.259619567e-01 -1.861968087e-01 4.74 -2.524076161e-02 -1.196841125e-01 -1.771875780e-01 4.76 -2.329589629e-02 -1.134821967e-01 -1.682316036e-01 4.78 -2.149171359e-02 -1.073440533e-01 -1.593201216e-01 4.80 -1.980999922e-02 -1.012619223e-01 -1.504494456e-01 4.82 -1.823500115e-02 -9.523291693e-02 -1.416218945e-01 4.84 -1.675360656e-02 -8.925942471e-02 -1.328465940e-01 4.86 -1.535554138e-02 -8.334936832e-02 -1.241400375e-01 4.88 -1.403307559e-02 -7.751623150e-02 -1.155262812e-01 4.90 -1.278083655e-02 -7.177877773e-02 -1.070366580e-01 4.92 -1.159553545e-02 -6.616040525e-02 -9.870892970e-02 4.94 -1.047561245e-02 -6.068812223e-02 -9.058585136e-02 4.96 -9.420817192e-03 -5.539117663e-02 -8.271320212e-02 4.98 -8.431750677e-03 -5.029942938e-02 -7.513741610e-02 5.00 -7.509402197e-03 -4.544161033e-02 -6.790302227e-02 5.02 -6.654718838e-03 -4.084362528e-02 -6.105014434e-02 5.04 -5.868242506e-03 -3.652707953e-02 -5.461231543e-02 5.06 -5.149841269e-03 -3.250815809e-02 -4.861481769e-02 5.08 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