{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" ] } "a" { "source-value" [ 10.6135 9.902357 9.461619 9.141399 8.889745 8.682411 8.506099 8.352722 8.216994 8.095271 7.984929 7.884022 7.791062 7.704889 7.624578 7.549383 7.478691 7.411992 7.34886 7.288932 7.231899 7.177493 7.125485 7.07567 7.041757 7.006066 6.968398 6.928523 6.886165 6.840994 6.792611 6.740523 6.684115 6.622606 6.55498 6.479884 6.395462 6.299064 6.186722 6.052095 5.884098 5.66054 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.06135e-09 9.902357000000002e-10 9.461619000000002e-10 9.141399e-10 8.889745e-10 8.682411e-10 8.506099000000001e-10 8.352722e-10 8.216994e-10 8.095271000000001e-10 7.984929e-10 7.884022e-10 7.791062e-10 7.704889e-10 7.624578e-10 7.549383e-10 7.478691e-10 7.411992e-10 7.34886e-10 7.288932e-10 7.231899e-10 7.177493e-10 7.125485e-10 7.07567e-10 7.041757e-10 7.006066e-10 6.968398e-10 6.928523000000001e-10 6.886165000000001e-10 6.840994000000001e-10 6.792611e-10 6.740523e-10 6.684115e-10 6.622606e-10 6.554979999999999e-10 6.479884000000001e-10 6.395462000000001e-10 6.299064e-10 6.186722e-10 6.052095e-10 5.884098e-10 5.660540000000001e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.559771 0.734074 0.868522 0.982451 1.08166 1.16909 1.24664 1.31566 1.37721 1.43208 1.48096 1.52437 1.5628 1.59662 1.62619 1.65179 1.67369 1.69212 1.70727 1.71933 1.72848 1.73485 1.73858 1.7398 1.73921 1.73726 1.73365 1.72798 1.71973 1.70826 1.6927 1.67186 1.64415 1.60734 1.55818 1.49193 1.40119 1.27401 1.08981 0.810014 0.35354 -0.482807 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.96852016590814e-20 1.1761162104269158e-19 1.3915256545149479e-19 1.574060036249934e-19 1.73301037793244e-19 1.87308868104306e-19 1.99733747900976e-19 2.10791971028844e-19 2.20653368211114e-19 2.2944451140187197e-19 2.3727595078886397e-19 2.4423099955705797e-19 2.5038816436151997e-19 2.5580672573770795e-19 2.60544362044446e-19 2.64645934227486e-19 2.6815470105594595e-19 2.71107512592408e-19 2.73534810192918e-19 2.75467035213522e-19 2.76933026833632e-19 2.7795361334949e-19 2.78551225233972e-19 2.7874669078331997e-19 2.78652162361914e-19 2.78339737918284e-19 2.7776135215340996e-19 2.76852918001932e-19 2.7553112227888196e-19 2.7369342567968394e-19 2.7120043883717998e-19 2.6786150273192397e-19 2.6342187127911e-19 2.5752425908935596e-19 2.4964795875661196e-19 2.39033538556362e-19 2.2449538777944597e-19 2.04118905348234e-19 1.74606811749954e-19 1.297785504012876e-19 5.6643352718436e-20 -7.73542094131638e-20 ] } }