{ "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 0.766922 0 ] [ 0 0.233078 0.5 ] [ 0 0.233078 0 ] [ 0 0.766922 0.5 ] [ 0.5 0.266922 0 ] [ 0.5 0.733078 0.5 ] [ 0.5 0.733078 0 ] [ 0.5 0.266922 0.5 ] [ 0.645026 0.912495 0.75 ] [ 0.645026 0.087505 0.75 ] [ 0.354974 0.087505 0.25 ] [ 0.354974 0.912495 0.25 ] [ 0.145026 0.412495 0.75 ] [ 0.145026 0.587505 0.75 ] [ 0.854974 0.587505 0.25 ] [ 0.854974 0.412495 0.25 ] [ 0.726409 0.195958 0.75 ] [ 0.726409 0.804042 0.75 ] [ 0.273591 0.195958 0.25 ] [ 0.273591 0.804042 0.25 ] [ 0.37545 0.065339 0.75 ] [ 0.37545 0.934661 0.75 ] [ 0.62455 0.934661 0.25 ] [ 0.62455 0.065339 0.25 ] [ 0.821376 0 0.75 ] [ 0.178624 0 0.25 ] [ 0.226409 0.695958 0.75 ] [ 0.226409 0.304042 0.75 ] [ 0.773591 0.695958 0.25 ] [ 0.773591 0.304042 0.25 ] [ 0.87545 0.565339 0.75 ] [ 0.87545 0.434661 0.75 ] [ 0.12455 0.434661 0.25 ] [ 0.12455 0.565339 0.25 ] [ 0.321376 0.5 0.75 ] [ 0.678624 0.5 0.25 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "B" "B" "B" "B" "B" "B" "B" "B" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "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" 6.57699342592 "source-unit" "angstrom" } "b" { "source-value" 15.9501156019 "source-unit" "angstrom" } "c" { "source-value" 7.00595156 "source-unit" "angstrom" } }