{ "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" [ [ 0.458949 0.601063 0.25 ] [ 0.541051 0.398937 0.75 ] [ 0.041051 0.101063 0.25 ] [ 0.958949 0.898937 0.75 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0.143814 0.547418 0.75 ] [ 0.856186 0.452582 0.25 ] [ 0.356186 0.047418 0.75 ] [ 0.643814 0.952582 0.25 ] [ 0.17633 0.815317 0.428967 ] [ 0.82367 0.184683 0.928967 ] [ 0.32367 0.315317 0.428967 ] [ 0.67633 0.684683 0.928967 ] [ 0.67633 0.684683 0.571033 ] [ 0.32367 0.315317 0.071033 ] [ 0.82367 0.184683 0.571033 ] [ 0.17633 0.815317 0.071033 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Sc" "Sc" "Sc" "Sc" "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" 6.39816041 "source-unit" "angstrom" } "b" { "source-value" 7.02682094 "source-unit" "angstrom" } "c" { "source-value" 9.55025719 "source-unit" "angstrom" } }