{ "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" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" ] } "a" { "source-value" [ 8.02981 7.491784 7.158337 6.916069 6.725677 6.568815 6.435423 6.319383 6.216697 6.124605 6.041124 5.964781 5.894451 5.829255 5.768495 5.711605 5.658122 5.60766 5.559896 5.514557 5.471407 5.430246 5.390898 5.35321 5.327553 5.30055 5.272052 5.241883 5.209837 5.175662 5.139057 5.099649 5.056973 5.010437 4.959273 4.902458 4.838587 4.765656 4.680662 4.578807 4.451707 4.28257 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.02981e-10 7.491784e-10 7.158337e-10 6.916069000000001e-10 6.725677000000001e-10 6.568815e-10 6.435423e-10 6.319383000000001e-10 6.216697e-10 6.124605e-10 6.041124e-10 5.964781e-10 5.894451000000001e-10 5.829255e-10 5.768495e-10 5.711605e-10 5.658122e-10 5.60766e-10 5.559896e-10 5.514557000000001e-10 5.471407000000001e-10 5.430246000000001e-10 5.390898e-10 5.35321e-10 5.327553e-10 5.300550000000001e-10 5.272052000000001e-10 5.241883e-10 5.209837e-10 5.175662e-10 5.139057e-10 5.099649000000001e-10 5.056973e-10 5.010437e-10 4.959272999999999e-10 4.902458e-10 4.838587e-10 4.765656e-10 4.680662e-10 4.5788070000000004e-10 4.451707e-10 4.28257e-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" [ 0.803974 1.20899 1.58412 1.80894 1.98062 2.1164 2.22937 2.35813 2.46082 2.56454 2.64392 2.71155 2.76978 2.81981 2.86241 2.89854 2.92871 2.95364 2.97375 2.98945 3.00122 3.00924 3.01396 3.01566 3.01517 3.0132 3.00947 3.00666 2.99787 2.98582 2.96965 2.94839 2.92097 2.88602 2.84195 2.78702 2.71954 2.63516 2.52592 2.37908 2.16361 1.77419 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.2881083465310592e-19 1.9370155127809921e-19 2.538040028541696e-19 2.898241376429952e-19 3.173303058688896e-19 3.39084660026112e-19 3.571844493112896e-19 3.7781407548071043e-19 3.9426682719970563e-19 4.108846031106432e-19 4.2360268112655363e-19 4.34438201613024e-19 4.437676760759425e-19 4.517833657098048e-19 4.586086381144129e-19 4.643973022453633e-19 4.692310691103169e-19 4.732252954259712e-19 4.764472726104e-19 4.789626899050561e-19 4.808484517877376e-19 4.821333974376193e-19 4.828896248026369e-19 4.831619948281728e-19 4.830834881737536e-19 4.82767859379456e-19 4.821702474998976e-19 4.817200358694528e-19 4.803117226197696e-19 4.783810997917056e-19 4.75790380195872e-19 4.723841527000512e-19 4.679909844058177e-19 4.623913771161216e-19 4.553305847482561e-19 4.465298285702016e-19 4.357183407330432e-19 4.221991744067328e-19 4.0469699700111366e-19 3.8117063550128645e-19 3.4664853585290877e-19 2.842565738857152e-19 ] } }