{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1nm" } "basis-atom-coordinates" { "source-value" [ [ 0.479874 0.353055 0.5 ] [ 0.979874 0.646945 0 ] [ 0.089301 0.830033 0.380466 ] [ 0.071556 0.316239 0.747512 ] [ 0.571556 0.683761 0.752488 ] [ 0.589301 0.169967 0.119534 ] [ 0.589301 0.169967 0.880466 ] [ 0.089301 0.830033 0.619534 ] [ 0.071556 0.316239 0.252488 ] [ 0.571556 0.683761 0.247512 ] [ 0.975629 0.645655 0.5 ] [ 0.475629 0.354345 0 ] [ 0.966822 0.196771 0.119685 ] [ 0.466822 0.803229 0.380315 ] [ 0.466822 0.803229 0.619685 ] [ 0.966822 0.196771 0.880315 ] [ 0.986561 0.173018 0.383693 ] [ 0.486561 0.826982 0.116307 ] [ 0.486561 0.826982 0.883693 ] [ 0.986561 0.173018 0.616307 ] [ 0.961409 0.667789 0.251569 ] [ 0.461409 0.332211 0.248431 ] [ 0.461409 0.332211 0.751569 ] [ 0.961409 0.667789 0.748431 ] ] } "species" { "source-value" [ "Ba" "Ba" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "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" 5.95849762 "source-unit" "angstrom" } "b" { "source-value" 6.30231258 "source-unit" "angstrom" } "c" { "source-value" 15.04361859 "source-unit" "angstrom" } }