{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.654416 ] [ 0.5 0 0.345584 ] [ 0 0.5 0.154416 ] [ 0 0.5 0.845584 ] [ 0.5 0.262668 0.803638 ] [ 0.5 0.737332 0.196362 ] [ 0.5 0.262668 0.196362 ] [ 0.5 0.642405 0 ] [ 0.5 0.357595 0 ] [ 0.5 0.737332 0.803638 ] [ 0 0.762668 0.303638 ] [ 0 0.237332 0.696362 ] [ 0 0.762668 0.696362 ] [ 0 0.142405 0.5 ] [ 0 0.857595 0.5 ] [ 0 0.237332 0.303638 ] ] } "species" { "source-value" [ "Ce" "Ce" "Cr" "Cr" "Cr" "Cr" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.07270369296 "source-unit" "angstrom" } "b" { "source-value" 6.53664986166 "source-unit" "angstrom" } "c" { "source-value" 8.32404322311 "source-unit" "angstrom" } }