{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.113816 0.25 ] [ 0.5 0.886184 0.75 ] [ 0 0.613816 0.25 ] [ 0 0.386184 0.75 ] [ 0 0.1554 0.75 ] [ 0 0.8446 0.25 ] [ 0.5 0.6554 0.75 ] [ 0.5 0.3446 0.25 ] ] } "species" { "source-value" [ "In" "In" "In" "In" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.42160225808 "source-unit" "angstrom" } "b" { "source-value" 12.4321523706 "source-unit" "angstrom" } "c" { "source-value" 4.51819891 "source-unit" "angstrom" } }