{ "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 0 ] [ 0 0.5 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0.197544 0 ] [ 0.302632 0 0.5 ] [ 0 0.802456 0 ] [ 0.697368 0 0.5 ] [ 0.5 0.697544 0 ] [ 0.802632 0.5 0.5 ] [ 0.5 0.302456 0 ] [ 0.197368 0.5 0.5 ] ] } "species" { "source-value" [ "Al" "Al" "Cr" "Cr" "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" 6.24148947 "source-unit" "angstrom" } "b" { "source-value" 6.39149726 "source-unit" "angstrom" } "c" { "source-value" 2.90342917 "source-unit" "angstrom" } }