{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.974665 0.102494 0.25 ] [ 0.474665 0.397506 0.75 ] [ 0.525335 0.602494 0.25 ] [ 0.025335 0.897506 0.75 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.611631 0.034033 0.75 ] [ 0.214002 0.158297 0.548391 ] [ 0.214002 0.158297 0.951609 ] [ 0.714002 0.341703 0.451609 ] [ 0.714002 0.341703 0.048391 ] [ 0.111631 0.465967 0.25 ] [ 0.888369 0.534033 0.75 ] [ 0.285998 0.658297 0.951609 ] [ 0.285998 0.658297 0.548391 ] [ 0.785998 0.841703 0.048391 ] [ 0.785998 0.841703 0.451609 ] [ 0.388369 0.965967 0.25 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Cu" "Cu" "Cu" "Cu" "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" 5.36146037 "source-unit" "angstrom" } "b" { "source-value" 6.32976742 "source-unit" "angstrom" } "c" { "source-value" 7.19740924 "source-unit" "angstrom" } }