{ "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" [ [ 0.5 0.258634 0.825143 ] [ 0 0.258634 0.174857 ] [ 0.5 0.741366 0.174857 ] [ 0 0.741366 0.825143 ] [ 0 0.758634 0.325143 ] [ 0.5 0.758634 0.674857 ] [ 0 0.241366 0.674857 ] [ 0.5 0.241366 0.325143 ] [ 0.75 0.5 0 ] [ 0.25 0.5 0 ] [ 0.25 0 0.5 ] [ 0.75 0 0.5 ] [ 0.75 0 0 ] [ 0.25 0 0 ] [ 0.25 0.5 0.5 ] [ 0.75 0.5 0.5 ] [ 0 0.200425 0.905768 ] [ 0 0.799575 0.094232 ] [ 0.5 0.200425 0.094232 ] [ 0.5 0.799575 0.905768 ] [ 0.5 0.700425 0.405768 ] [ 0.5 0.299575 0.594232 ] [ 0 0.700425 0.594232 ] [ 0 0.299575 0.405768 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Na" "Na" "Na" "Na" "Al" "Al" "Al" "Al" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.52874023 "source-unit" "angstrom" } "b" { "source-value" 6.8098679 "source-unit" "angstrom" } "c" { "source-value" 15.12781318 "source-unit" "angstrom" } }