{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.351954 0.406784 ] [ 0.75 0.648046 0.593216 ] [ 0.25 0.851954 0.093216 ] [ 0.75 0.148046 0.906784 ] [ 0.25 0.515616 0.8063 ] [ 0.75 0.484384 0.1937 ] [ 0.25 0.015616 0.6937 ] [ 0.75 0.984384 0.3063 ] [ 0.945551 0.305861 0.650443 ] [ 0.445551 0.694139 0.349557 ] [ 0.554449 0.805861 0.849557 ] [ 0.054449 0.194139 0.150443 ] [ 0.054449 0.694139 0.349557 ] [ 0.554449 0.305861 0.650443 ] [ 0.445551 0.194139 0.150443 ] [ 0.945551 0.805861 0.849557 ] [ 0.75 0.563993 0.907482 ] [ 0.25 0.436007 0.092518 ] [ 0.75 0.063993 0.592518 ] [ 0.25 0.936007 0.407482 ] [ 0.75 0.8014 0.04818 ] [ 0.25 0.1986 0.95182 ] [ 0.75 0.3014 0.45182 ] [ 0.25 0.6986 0.54818 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.5984019 "source-unit" "angstrom" } "b" { "source-value" 8.89943678 "source-unit" "angstrom" } "c" { "source-value" 11.23077356 "source-unit" "angstrom" } }