{ "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" [ [ 0.25 0.448699 0.355038 ] [ 0.25 0.051301 0.855038 ] [ 0.75 0.551301 0.644962 ] [ 0.75 0.948699 0.144962 ] [ 0.25 0.094631 0.587953 ] [ 0.25 0.405369 0.087953 ] [ 0.75 0.905369 0.412047 ] [ 0.75 0.594631 0.912047 ] [ 0.25 0.800563 0.694167 ] [ 0.25 0.699437 0.194167 ] [ 0.75 0.199437 0.305833 ] [ 0.75 0.300563 0.805833 ] [ 0.25 0.304397 0.555165 ] [ 0.25 0.195603 0.055165 ] [ 0.75 0.695603 0.444835 ] [ 0.75 0.804397 0.944835 ] ] } "species" { "source-value" [ "Ga" "Ga" "Ga" "Ga" "H" "H" "H" "H" "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" 3.01672126 "source-unit" "angstrom" } "b" { "source-value" 4.56776965 "source-unit" "angstrom" } "c" { "source-value" 9.9227908 "source-unit" "angstrom" } }