{ "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" [ [ 0.852148 0.169584 0.25 ] [ 0.147852 0.830416 0.75 ] [ 0.147852 0.169584 0.75 ] [ 0.852148 0.830416 0.25 ] [ 0.352148 0.669584 0.25 ] [ 0.647852 0.330416 0.75 ] [ 0.647852 0.669584 0.75 ] [ 0.352148 0.330416 0.25 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0.259522 0 0.25 ] [ 0.740478 0 0.75 ] [ 0.759522 0.5 0.25 ] [ 0.240478 0.5 0.75 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Cu" "Cu" "Cu" "Cu" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.61294810916 "source-unit" "angstrom" } "b" { "source-value" 10.1135647479 "source-unit" "angstrom" } "c" { "source-value" 5.93140376 "source-unit" "angstrom" } }