# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Mo # implementation = 2004--Zhou-X-W--Mo--LAMMPS--ipr1 # composition = Mo # 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 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 1.399933074e+03 nan 0.78 nan nan nan nan nan nan nan nan 1.265810758e+03 nan 0.80 nan nan nan nan nan nan nan nan 1.145881926e+03 nan 0.82 nan nan nan nan nan 8.959806892e+02 nan nan 1.038444407e+03 nan 0.84 nan nan nan nan nan 8.139267145e+02 nan nan 9.420717166e+02 nan 0.86 nan nan nan nan nan 7.400650959e+02 nan nan 8.555283434e+02 nan 0.88 nan nan nan nan nan 6.735260576e+02 nan nan 7.777159197e+02 nan 0.90 nan nan nan nan nan 6.135623302e+02 nan nan 7.076580813e+02 nan 0.92 nan nan nan nan nan 5.594964918e+02 nan nan 6.444954783e+02 nan 0.94 nan 8.561288695e+02 nan 1.366462966e+03 1.366528203e+03 5.106948068e+02 nan nan 5.874726685e+02 8.715025728e+02 0.96 nan 7.831197534e+02 nan 1.257182590e+03 1.257137899e+03 4.665665096e+02 8.069081682e+02 nan 5.359200362e+02 7.981587519e+02 0.98 nan 7.167578563e+02 nan 1.157575224e+03 1.157440210e+03 4.265820438e+02 7.391546458e+02 nan 4.892396636e+02 7.314711861e+02 1.00 nan 6.563501437e+02 nan 1.066650076e+03 1.066473676e+03 3.902817933e+02 6.774810588e+02 nan 4.468966871e+02 6.707904440e+02 1.02 nan 6.012975295e+02 nan 9.835229808e+02 9.833635225e+02 3.572719288e+02 6.212874424e+02 nan 4.084160412e+02 6.155549574e+02 1.04 nan 5.510701430e+02 nan 9.074115956e+02 9.073180649e+02 3.272163957e+02 5.700569086e+02 nan 3.733824291e+02 5.652555242e+02 1.06 8.375099652e+02 5.052011660e+02 7.422774976e+02 8.376250277e+02 8.376266100e+02 2.998298561e+02 5.233398457e+02 7.703840901e+02 3.414362408e+02 5.194143638e+02 1.08 7.733718530e+02 4.632871023e+02 6.842429095e+02 7.735562694e+02 7.736591549e+02 2.748704098e+02 4.807298304e+02 7.105823509e+02 3.122668134e+02 4.775838587e+02 1.10 7.144567545e+02 4.249788365e+02 6.309657823e+02 7.146692699e+02 7.148569956e+02 2.521263111e+02 4.418433059e+02 6.556837741e+02 2.856055137e+02 4.393500311e+02 1.12 6.602886449e+02 3.899633303e+02 5.820515515e+02 6.604930945e+02 6.607302594e+02 2.314021866e+02 4.063137939e+02 6.052535602e+02 2.612225946e+02 4.043368512e+02 1.14 6.104476521e+02 3.579506690e+02 5.371276312e+02 6.106171000e+02 6.108578624e+02 2.125099023e+02 3.737982590e+02 5.589071107e+02 2.389216538e+02 3.722077089e+02 1.16 5.645629619e+02 3.286684487e+02 4.958434088e+02 5.646814718e+02 5.648812101e+02 1.952668312e+02 3.439851468e+02 5.162989131e+02 2.185306198e+02 3.426649911e+02 1.18 5.223051970e+02 3.018637469e+02 4.578790850e+02 5.223665054e+02 5.224919398e+02 1.795013264e+02 3.165981267e+02 4.771164038e+02 1.998927962e+02 3.154524059e+02 1.20 4.833771369e+02 2.773033688e+02 4.229506802e+02 4.833807741e+02 4.834150350e+02 1.650578708e+02 2.913967354e+02 4.410709610e+02 1.828614180e+02 2.903546546e+02 1.22 4.475071922e+02 2.547722009e+02 3.908069971e+02 4.474551496e+02 4.473978544e+02 1.517994897e+02 2.681733792e+02 4.078939243e+02 1.672993527e+02 2.671943314e+02 1.24 4.144413704e+02 2.340719277e+02 3.612203188e+02 4.143376822e+02 4.142021436e+02 1.396073897e+02 2.467499515e+02 3.773322131e+02 1.530789816e+02 2.458235293e+02 1.26 3.839398578e+02 2.150219308e+02 3.339804314e+02 3.837925287e+02 3.836019753e+02 1.283808246e+02 2.269740610e+02 3.491459061e+02 1.400819161e+02 2.261158255e+02 1.28 3.557735951e+02 1.974621533e+02 3.088907234e+02 3.555969794e+02 3.553807940e+02 1.180357381e+02 2.087134989e+02 3.231114995e+02 1.281976808e+02 2.079581882e+02 1.30 3.297254645e+02 1.812562579e+02 2.857657093e+02 3.295410885e+02 3.293309200e+02 1.085012217e+02 1.918515383e+02 2.990266911e+02 1.173229391e+02 1.912456482e+02 1.32 3.055966373e+02 1.662916713e+02 2.644291946e+02 3.054312157e+02 3.052568225e+02 9.971512686e+01 1.762834675e+02 2.767158182e+02 1.073626850e+02 1.758786016e+02 1.34 2.832132073e+02 1.524770665e+02 2.447122477e+02 2.830935604e+02 2.829785614e+02 9.161918053e+01 1.619139488e+02 2.560307355e+02 9.823155401e+01 1.617610581e+02 1.36 2.624301764e+02 1.397352021e+02 2.264561790e+02 2.623769689e+02 2.623356573e+02 8.415659108e+01 1.486555743e+02 2.368471343e+02 8.985424221e+01 1.487999578e+02 1.38 2.431281973e+02 1.279960036e+02 2.095165704e+02 2.431513233e+02 2.431874820e+02 7.727180373e+01 1.364289736e+02 2.190577598e+02 8.216406692e+01 1.369039321e+02 1.40 2.252054638e+02 1.171916821e+02 1.937679712e+02 2.253028196e+02 2.254105635e+02 7.091200264e+01 1.251624257e+02 2.025656149e+02 7.510068065e+01 1.259824501e+02 1.42 2.085703397e+02 1.072540082e+02 1.791059489e+02 2.087296237e+02 2.088954455e+02 6.502915602e+01 1.147913265e+02 1.872800261e+02 6.860807733e+01 1.159472169e+02 1.44 1.931353458e+02 9.811418693e+01 1.654447547e+02 1.933373071e+02 1.935424376e+02 5.958063960e+01 1.052559570e+02 1.731143516e+02 6.263353345e+01 1.067141521e+02 1.46 1.788167496e+02 8.970406685e+01 1.527135906e+02 1.790385345e+02 1.792612255e+02 5.452924393e+01 9.649927319e+01 1.599859333e+02 5.712814228e+01 9.820701423e+01 1.48 1.655336906e+02 8.195737817e+01 1.408520666e+02 1.657518285e+02 1.659696532e+02 4.984217223e+01 8.846491098e+01 1.478162478e+02 5.204744328e+01 9.035805836e+01 1.50 1.532085626e+02 7.481184052e+01 1.298068567e+02 1.534015883e+02 1.535938041e+02 4.549036483e+01 8.109621680e+01 1.365306759e+02 4.735210660e+01 8.310733201e+01 1.52 1.417672019e+02 6.821075087e+01 1.195304950e+02 1.419178985e+02 1.420676943e+02 4.144840961e+01 7.433661544e+01 1.260593027e+02 4.300791945e+01 7.640083933e+01 1.54 1.311383309e+02 6.210440240e+01 1.099798925e+02 1.312353603e+02 1.313315834e+02 3.769429465e+01 6.813039266e+01 1.163365086e+02 3.898513544e+01 7.018874215e+01 1.56 1.212553396e+02 5.645083296e+01 1.011161095e+02 1.212939804e+02 1.213319693e+02 3.420954326e+01 6.242411615e+01 1.073018011e+02 3.525798639e+01 6.442552275e+01 1.58 1.120568313e+02 5.121563756e+01 9.290291990e+01 1.120387304e+02 1.120201316e+02 3.097837090e+01 5.716752381e+01 9.890039118e+01 3.180385531e+01 5.907038399e+01 1.60 1.034883790e+02 4.637083642e+01 8.530580375e+01 1.034204682e+02 1.033521898e+02 2.798698712e+01 5.231447460e+01 9.108355178e+01 2.860297644e+01 5.408833267e+01 1.62 9.550208477e+01 4.189320279e+01 7.829021349e+01 9.539500087e+01 9.528765112e+01 2.522232731e+01 4.782327104e+01 8.380841164e+01 2.563781487e+01 4.944986973e+01 1.64 8.805640698e+01 3.776266396e+01 7.182081207e+01 8.792281654e+01 8.778903635e+01 2.267138849e+01 4.365723615e+01 7.703712281e+01 2.289274530e+01 4.513040494e+01 1.66 8.111488947e+01 3.396052487e+01 6.586099900e+01 8.096801146e+01 8.082099901e+01 2.032072434e+01 3.978471626e+01 7.073630988e+01 2.035354191e+01 4.110891190e+01 1.68 7.464476776e+01 3.046828743e+01 6.037283556e+01 7.449724335e+01 7.434962411e+01 1.815630316e+01 3.617894387e+01 6.487584226e+01 1.800687138e+01 3.736654973e+01 1.70 6.861663809e+01 2.726697964e+01 5.531807010e+01 6.847974673e+01 6.834278865e+01 1.616853302e+01 3.281772293e+01 5.942889452e+01 1.584010734e+01 3.388607042e+01 1.72 6.300347703e+01 2.433691441e+01 5.065843696e+01 6.288659393e+01 6.276966386e+01 1.434885555e+01 2.968259073e+01 5.437108399e+01 1.384095989e+01 3.065110933e+01 1.74 5.778072444e+01 2.165788589e+01 4.635684712e+01 5.769090603e+01 5.760105448e+01 1.268296026e+01 2.675796757e+01 4.968012263e+01 1.199809960e+01 2.764624194e+01 1.76 5.292602018e+01 1.920963539e+01 4.237802631e+01 5.286766793e+01 5.280929229e+01 1.115701324e+01 2.403028182e+01 4.533521146e+01 1.030687171e+01 2.485695888e+01 1.78 4.841896367e+01 1.697211270e+01 3.868937637e+01 4.839360835e+01 4.836823650e+01 9.757919098e+00 2.148734761e+01 4.131640932e+01 8.757626020e+00 2.226975157e+01 1.80 4.424038241e+01 1.492582697e+01 3.526160690e+01 4.424669123e+01 4.425298829e+01 8.473565709e+00 1.911785655e+01 3.760411841e+01 7.339294510e+00 1.987190462e+01 1.82 4.037185958e+01 1.305204848e+01 3.206938090e+01 4.040594582e+01 4.044002369e+01 7.293246475e+00 1.691131363e+01 3.417862756e+01 6.041684821e+00 1.765140715e+01 1.84 3.679504998e+01 1.133297974e+01 2.909161456e+01 3.685109192e+01 3.690712790e+01 6.207961649e+00 1.485791131e+01 3.101995980e+01 4.855553721e+00 1.559668921e+01 1.86 3.349138640e+01 9.751956289e+00 2.631147856e+01 3.356244011e+01 3.363348956e+01 5.210567329e+00 1.294852291e+01 2.810787251e+01 3.772604366e+00 1.369648375e+01 1.88 3.044204220e+01 8.294092563e+00 2.371587576e+01 3.052089982e+01 3.059975438e+01 4.295674553e+00 1.117466232e+01 2.542205162e+01 2.785421986e+00 1.193978814e+01 1.90 2.762786182e+01 6.952408661e+00 2.129449905e+01 2.770779955e+01 2.778773505e+01 3.459211242e+00 9.528335430e+00 2.294232540e+01 1.887297629e+00 1.031579423e+01 1.92 2.502950994e+01 5.718715075e+00 1.903881391e+01 2.510484435e+01 2.518017716e+01 2.697906837e+00 8.005655133e+00 2.064888373e+01 1.072102573e+00 8.817540828e+00 1.94 2.262763126e+01 4.582033162e+00 1.694107984e+01 2.269405207e+01 2.276047174e+01 2.008763006e+00 6.603094906e+00 1.852289677e+01 3.341865005e-01 7.439477386e+00 1.96 2.040325364e+01 3.533077149e+00 1.499378717e+01 2.045795986e+01 2.051266526e+01 1.388706606e+00 5.313297905e+00 1.654683580e+01 -3.316002927e-01 6.171369587e+00 1.98 1.833792106e+01 2.564024433e+00 1.318905995e+01 1.837958896e+01 1.842125624e+01 8.342666387e-01 4.129270683e+00 1.470496425e+01 -9.300034061e-01 5.003382189e+00 2.00 1.641460564e+01 1.668403716e+00 1.151875626e+01 1.644322644e+01 1.647184679e+01 3.415610617e-01 3.044501034e+00 1.298377790e+01 -1.465303065e+00 3.926493271e+00 2.02 1.461792739e+01 8.407496826e-01 9.974235883e+00 1.463454762e+01 1.465116752e+01 -9.385156955e-02 2.052847467e+00 1.137205302e+01 -1.941488961e+00 2.932528792e+00 2.04 1.293487230e+01 7.640057704e-02 8.546606919e+00 1.294127322e+01 1.294767393e+01 -4.769157727e-01 1.148575206e+00 9.860870471e+00 -2.362342014e+00 2.014499443e+00 2.06 1.135486954e+01 -6.287031719e-01 7.228319011e+00 1.135323059e+01 1.135159148e+01 -8.130903031e-01 3.262536486e-01 8.443327314e+00 -2.731618004e+00 1.166633287e+00 2.08 9.869783465e+00 -1.278191580e+00 6.016231158e+00 9.862371897e+00 9.854960210e+00 -1.108248731e+00 -4.192912860e-01 7.117316255e+00 -3.053163835e+00 3.844212347e-01 2.10 8.473568686e+00 -1.875386435e+00 4.901505317e+00 8.462493311e+00 8.451417848e+00 -1.368491605e+00 -1.093027055e+00 5.882908065e+00 -3.330963570e+00 -3.355181178e-01 2.12 7.164616837e+00 -2.423400311e+00 3.875006893e+00 7.151488721e+00 7.138360516e+00 -1.599889093e+00 -1.699765466e+00 4.735808558e+00 -3.569105458e+00 -9.956627378e-01 2.14 5.943807790e+00 -2.925191631e+00 2.928189412e+00 5.929973661e+00 5.916139466e+00 -1.807994327e+00 -2.244147560e+00 3.672164872e+00 -3.771675901e+00 -1.597849026e+00 2.16 4.807595896e+00 -3.383613307e+00 2.053336905e+00 4.794061137e+00 4.780526329e+00 -1.997056172e+00 -2.730629228e+00 2.688412988e+00 -3.942604621e+00 -2.143552576e+00 2.18 3.752763717e+00 -3.801402576e+00 1.243690697e+00 3.740188400e+00 3.727613046e+00 -2.172184810e+00 -3.163453901e+00 1.781038524e+00 -4.085552553e+00 -2.634141316e+00 2.20 2.776158026e+00 -4.181231766e+00 4.934612877e-01 2.764909388e+00 2.753660722e+00 -2.337360078e+00 -3.546665076e+00 9.464646290e-01 -4.203858075e+00 -3.071116846e+00 2.22 1.874629455e+00 -4.525654240e+00 -2.021548541e-01 1.864855355e+00 1.855081233e+00 -2.495105841e+00 -3.884079805e+00 1.810112151e-01 -4.300273720e+00 -3.456193607e+00 2.24 1.044842327e+00 -4.837119922e+00 -8.471800287e-01 1.036537192e+00 1.028232041e+00 -2.646776017e+00 -4.179362053e+00 -5.191224225e-01 -4.376982015e+00 -3.791422937e+00 2.26 2.833215380e-01 -5.117950783e+00 -1.444973363e+00 2.763871149e-01 2.694526674e-01 -2.792859816e+00 -4.436037351e+00 -1.157845544e+00 -4.437646744e+00 -4.079172733e+00 2.28 -4.135853068e-01 -5.370334595e+00 -1.998439013e+00 -4.192979738e-01 -4.250106593e-01 -2.932870750e+00 -4.657571703e+00 -1.739139709e+00 -4.485703487e+00 -4.322131546e+00 2.30 -1.049618914e+00 -5.596295014e+00 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