{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.24292 0 0.75 ] [ 0.75708 0.5 0.75 ] [ 0.75 0.012663 0 ] [ 0.25 0.487337 0 ] [ 0.74292 0.5 0.25 ] [ 0.25708 0 0.25 ] [ 0.25 0.512663 0.5 ] [ 0.75 0.987337 0.5 ] [ 0 0.75 0.62803 ] [ 0 0.25 0.87197 ] [ 0.5 0.25 0.12803 ] [ 0.5 0.75 0.37197 ] [ 0.5 0.25 0.623004 ] [ 0.5 0.75 0.876996 ] [ 0 0.75 0.123004 ] [ 0 0.25 0.376996 ] ] } "species" { "source-value" [ "In" "In" "In" "In" "In" "In" "In" "In" "As" "As" "As" "As" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.37242526 "source-unit" "angstrom" } "b" { "source-value" 6.39663013 "source-unit" "angstrom" } "c" { "source-value" 12.86591806 "source-unit" "angstrom" } }