{ "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" [ [ 0.25 0.315803 0.694228 ] [ 0.25 0.184197 0.194228 ] [ 0.75 0.684197 0.305772 ] [ 0.75 0.815803 0.805772 ] [ 0.75 0.278524 0.928241 ] [ 0.75 0.221476 0.428241 ] [ 0.25 0.721476 0.071759 ] [ 0.25 0.778524 0.571759 ] [ 0.75 0.434663 0.797044 ] [ 0.75 0.065337 0.297044 ] [ 0.25 0.565337 0.202956 ] [ 0.25 0.934663 0.702956 ] [ 0.75 0.121348 0.585525 ] [ 0.75 0.378652 0.085525 ] [ 0.25 0.878652 0.414475 ] [ 0.25 0.621348 0.914475 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "S" "S" "S" "S" "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" 4.9770803 "source-unit" "angstrom" } "b" { "source-value" 6.96734826 "source-unit" "angstrom" } "c" { "source-value" 8.95542441 "source-unit" "angstrom" } }