{ "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 0.457679 0.351956 ] [ 0.25 0.042321 0.851956 ] [ 0.75 0.542321 0.648044 ] [ 0.75 0.957679 0.148044 ] [ 0.25 0.100052 0.574135 ] [ 0.25 0.399948 0.074135 ] [ 0.75 0.899948 0.425865 ] [ 0.75 0.600052 0.925865 ] [ 0.25 0.776427 0.699998 ] [ 0.25 0.723573 0.199998 ] [ 0.75 0.223573 0.300002 ] [ 0.75 0.276427 0.800002 ] [ 0.25 0.296764 0.551724 ] [ 0.25 0.203236 0.051724 ] [ 0.75 0.703236 0.448276 ] [ 0.75 0.796764 0.948276 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "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" 3.24583231 "source-unit" "angstrom" } "b" { "source-value" 4.84311045 "source-unit" "angstrom" } "c" { "source-value" 10.43628077 "source-unit" "angstrom" } }