{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.889398 0.75 ] [ 0 0.110602 0.25 ] [ 0.5 0.389398 0.75 ] [ 0.5 0.610602 0.25 ] [ 0.5 0.132597 0.574441 ] [ 0.5 0.867403 0.425559 ] [ 0.5 0.132597 0.925559 ] [ 0.5 0.867403 0.074441 ] [ 0 0.632597 0.574441 ] [ 0 0.367403 0.425559 ] [ 0 0.632597 0.925559 ] [ 0 0.367403 0.074441 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.233004 0.386688 ] [ 0.5 0.032881 0.75 ] [ 0.5 0.967119 0.25 ] [ 0.5 0.766996 0.613312 ] [ 0.5 0.233004 0.113312 ] [ 0.5 0.766996 0.886688 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0.733004 0.386688 ] [ 0 0.532881 0.75 ] [ 0 0.467119 0.25 ] [ 0 0.266996 0.613312 ] [ 0 0.733004 0.113312 ] [ 0 0.266996 0.886688 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 3.33076292 "source-unit" "angstrom" } "b" { "source-value" 11.08132204 "source-unit" "angstrom" } "c" { "source-value" 10.99972313 "source-unit" "angstrom" } }