{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.010567 0.045605 0.25 ] [ 0.489433 0.545605 0.25 ] [ 0.510567 0.454395 0.75 ] [ 0.989433 0.954395 0.75 ] [ 0.115348 0.537089 0.75 ] [ 0.186475 0.806929 0.057716 ] [ 0.186475 0.806929 0.442284 ] [ 0.313525 0.306929 0.057716 ] [ 0.313525 0.306929 0.442284 ] [ 0.384652 0.037089 0.75 ] [ 0.615348 0.962911 0.25 ] [ 0.686475 0.693071 0.557716 ] [ 0.686475 0.693071 0.942284 ] [ 0.813525 0.193071 0.557716 ] [ 0.813525 0.193071 0.942284 ] [ 0.884652 0.462911 0.25 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Bi" "Bi" "Bi" "Bi" "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" 5.60061657 "source-unit" "angstrom" } "b" { "source-value" 5.90965096 "source-unit" "angstrom" } "c" { "source-value" 8.104093 "source-unit" "angstrom" } }