{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.843395 0.5 ] [ 0.5 0.156605 0.5 ] [ 0 0.343395 0.5 ] [ 0 0.656605 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0 0.856643 0.5 ] [ 0 0.143357 0.5 ] [ 0.5 0 0 ] [ 0.5 0.356643 0.5 ] [ 0.5 0.643357 0.5 ] [ 0 0.5 0 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ce" "Ce" "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" 4.49062096 "source-unit" "angstrom" } "b" { "source-value" 9.6672619 "source-unit" "angstrom" } "c" { "source-value" 3.55472777 "source-unit" "angstrom" } }