{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.331523 0.351441 0.708847 ] [ 0.831523 0.148559 0.291153 ] [ 0.668477 0.851441 0.791153 ] [ 0.168477 0.648559 0.208847 ] [ 0.596433 0.600377 0.41911 ] [ 0.096433 0.899623 0.58089 ] [ 0.403567 0.100377 0.08089 ] [ 0.903567 0.399623 0.91911 ] [ 0.091446 0.444496 0.464795 ] [ 0.591446 0.055504 0.535205 ] [ 0.908554 0.944496 0.035205 ] [ 0.408554 0.555504 0.964795 ] [ 0.830064 0.326384 0.618111 ] [ 0.330064 0.173616 0.381889 ] [ 0.169936 0.826384 0.881889 ] [ 0.669936 0.673616 0.118111 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.36311963 "source-unit" "angstrom" } "b" { "source-value" 7.50967656 "source-unit" "angstrom" } "c" { "source-value" 13.03722916 "source-unit" "angstrom" } }