{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.449412 0.56179 0.701055 ] [ 0.550588 0.06179 0.798945 ] [ 0.449412 0.93821 0.201055 ] [ 0.550588 0.43821 0.298945 ] [ 0.944357 0.659314 0.093826 ] [ 0.055643 0.159314 0.406174 ] [ 0.944357 0.840686 0.593826 ] [ 0.055643 0.340686 0.906174 ] [ 0.111067 0.650039 0.361373 ] [ 0.888933 0.150039 0.138627 ] [ 0.111067 0.849961 0.861373 ] [ 0.888933 0.349961 0.638627 ] [ 0.275236 0.676156 0.265908 ] [ 0.182387 0.139283 0.231982 ] [ 0.211302 0.449398 0.449704 ] [ 0.151679 0.848483 0.458382 ] [ 0.848321 0.348483 0.041618 ] [ 0.788698 0.949398 0.050296 ] [ 0.275236 0.823844 0.765908 ] [ 0.182387 0.360717 0.731982 ] [ 0.817613 0.639283 0.268018 ] [ 0.724764 0.176156 0.234092 ] [ 0.211302 0.050602 0.949704 ] [ 0.151679 0.651517 0.958382 ] [ 0.848321 0.151517 0.541618 ] [ 0.788698 0.550602 0.550296 ] [ 0.817613 0.860717 0.768018 ] [ 0.724764 0.323844 0.734092 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.36943511 "source-unit" "angstrom" } "b" { "source-value" 6.19742227 "source-unit" "angstrom" } "c" { "source-value" 10.72281798 "source-unit" "angstrom" } "beta" { "source-value" 110.2294753 "source-unit" "degree" } }