{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnam" } "basis-atom-coordinates" { "source-value" [ [ 0.363545 0.571345 0.25 ] [ 0.935434 0.705206 0.956158 ] [ 0.064566 0.294794 0.456158 ] [ 0.564566 0.205206 0.043842 ] [ 0.564566 0.205206 0.456158 ] [ 0.064566 0.294794 0.043842 ] [ 0.935434 0.705206 0.543842 ] [ 0.435434 0.794794 0.956158 ] [ 0.636455 0.428655 0.75 ] [ 0.863545 0.928655 0.25 ] [ 0.136455 0.071345 0.75 ] [ 0.435434 0.794794 0.543842 ] [ 0.279457 0.015737 0.25 ] [ 0.779457 0.484263 0.25 ] [ 0.220543 0.515737 0.75 ] [ 0.720543 0.984263 0.75 ] [ 0.844296 0.036596 0.576995 ] [ 0.344296 0.463404 0.923005 ] [ 0.655704 0.536596 0.423005 ] [ 0.155704 0.963404 0.076995 ] [ 0.155704 0.963404 0.423005 ] [ 0.655704 0.536596 0.076995 ] [ 0.344296 0.463404 0.576995 ] [ 0.844296 0.036596 0.923005 ] [ 0.493654 0.904467 0.25 ] [ 0.993654 0.595533 0.25 ] [ 0.006346 0.404467 0.75 ] [ 0.506346 0.095533 0.75 ] [ 0.318122 0.246489 0.25 ] [ 0.681878 0.753511 0.75 ] [ 0.181878 0.746489 0.75 ] [ 0.818122 0.253511 0.25 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Sb" "Sb" "Sb" "Sb" "S" "S" "S" "S" "S" "S" "S" "S" "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" 9.73719003 "source-unit" "angstrom" } "b" { "source-value" 10.13671229 "source-unit" "angstrom" } "c" { "source-value" 11.32125872 "source-unit" "angstrom" } }