{ "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 0.111468 0.25 ] [ 0 0.888532 0.75 ] [ 0.5 0.611468 0.25 ] [ 0.5 0.388532 0.75 ] [ 0.5 0.867943 0.425462 ] [ 0.5 0.867943 0.074538 ] [ 0.5 0.132057 0.574538 ] [ 0.5 0.132057 0.925462 ] [ 0 0.367943 0.425462 ] [ 0 0.367943 0.074538 ] [ 0 0.632057 0.574538 ] [ 0 0.632057 0.925462 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.969787 0.25 ] [ 0.5 0.765244 0.610502 ] [ 0.5 0.765244 0.889498 ] [ 0.5 0.030213 0.75 ] [ 0.5 0.234756 0.389498 ] [ 0.5 0.234756 0.110502 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0.469787 0.25 ] [ 0 0.265244 0.610502 ] [ 0 0.265244 0.889498 ] [ 0 0.530213 0.75 ] [ 0 0.734756 0.389498 ] [ 0 0.734756 0.110502 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "La" "La" "La" "La" "La" "La" "La" "La" "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" 3.58163226 "source-unit" "angstrom" } "b" { "source-value" 11.95990186 "source-unit" "angstrom" } "c" { "source-value" 11.56174809 "source-unit" "angstrom" } }