{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0 0 ] [ 0.25 0 0 ] [ 0.25 0.5 0.5 ] [ 0.75 0.5 0.5 ] [ 0 0.814399 0.894547 ] [ 0 0.185601 0.105453 ] [ 0.5 0.814399 0.105453 ] [ 0.5 0.185601 0.894547 ] [ 0.5 0.314399 0.394547 ] [ 0.5 0.685601 0.605453 ] [ 0 0.314399 0.605453 ] [ 0 0.685601 0.394547 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.58515285786 "source-unit" "angstrom" } "b" { "source-value" 6.2142676777 "source-unit" "angstrom" } "c" { "source-value" 10.9267603636 "source-unit" "angstrom" } }