{ "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" [ [ 0.5 0.794935 0.25 ] [ 0.5 0.205065 0.75 ] [ 0.5 0.070604 0.25 ] [ 0.5 0.929396 0.75 ] [ 0 0.294935 0.25 ] [ 0 0.705065 0.75 ] [ 0 0.570604 0.25 ] [ 0 0.429396 0.75 ] [ 0 0.168772 0.25 ] [ 0 0.831228 0.75 ] [ 0 0.882317 0.25 ] [ 0 0.117683 0.75 ] [ 0 0.023607 0.75 ] [ 0 0.976393 0.25 ] [ 0.5 0.668772 0.25 ] [ 0.5 0.331228 0.75 ] [ 0.5 0.382317 0.25 ] [ 0.5 0.617683 0.75 ] [ 0.5 0.523607 0.75 ] [ 0.5 0.476393 0.25 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "V" "V" "V" "V" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.04007988 "source-unit" "angstrom" } "b" { "source-value" 18.41654304 "source-unit" "angstrom" } "c" { "source-value" 2.98263956 "source-unit" "angstrom" } }