{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.668143 0.14679 ] [ 0.5 0.331857 0.85321 ] [ 0 0.668143 0.85321 ] [ 0 0.331857 0.14679 ] [ 0 0.168143 0.64679 ] [ 0 0.831857 0.35321 ] [ 0.5 0.168143 0.35321 ] [ 0.5 0.831857 0.64679 ] [ 0.25 0 0 ] [ 0.75 0 0 ] [ 0.75 0.5 0.5 ] [ 0.25 0.5 0.5 ] [ 0.5 0.829949 0.905173 ] [ 0.5 0.170051 0.094827 ] [ 0 0.829949 0.094827 ] [ 0 0.170051 0.905173 ] [ 0 0.329949 0.405173 ] [ 0 0.670051 0.594827 ] [ 0.5 0.329949 0.594827 ] [ 0.5 0.670051 0.405173 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Co" "Co" "Co" "Co" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.16699281 "source-unit" "angstrom" } "b" { "source-value" 7.02783478 "source-unit" "angstrom" } "c" { "source-value" 13.24989698 "source-unit" "angstrom" } }