{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.297736 0.24407 ] [ 0.25 0.702264 0.75593 ] [ 0.75 0.797736 0.25593 ] [ 0.25 0.202264 0.74407 ] [ 0.75 0.963285 0.08979 ] [ 0.75 0.463285 0.41021 ] [ 0.25 0.291156 0.544545 ] [ 0.25 0.536715 0.58979 ] [ 0.25 0.791156 0.955455 ] [ 0.75 0.708844 0.455455 ] [ 0.75 0.208844 0.044545 ] [ 0.25 0.036715 0.91021 ] [ 0.25 0.422827 0.086891 ] [ 0.25 0.035877 0.242183 ] [ 0.25 0.355351 0.900526 ] [ 0.75 0.644649 0.099474 ] [ 0.25 0.855351 0.599474 ] [ 0.25 0.535877 0.257817 ] [ 0.75 0.464123 0.742183 ] [ 0.75 0.577173 0.913109 ] [ 0.75 0.144649 0.400526 ] [ 0.75 0.077173 0.586891 ] [ 0.75 0.964123 0.757817 ] [ 0.25 0.922827 0.413109 ] [ 0.25 0.896926 0.824067 ] [ 0.25 0.21165 0.947331 ] [ 0.25 0.618085 0.997474 ] [ 0.25 0.678976 0.176309 ] [ 0.25 0.118085 0.502526 ] [ 0.75 0.28835 0.447331 ] [ 0.25 0.52814 0.829676 ] [ 0.75 0.222198 0.625695 ] [ 0.75 0.881915 0.497474 ] [ 0.75 0.321024 0.823691 ] [ 0.75 0.603074 0.324067 ] [ 0.75 0.925638 0.958063 ] [ 0.25 0.406653 0.330686 ] [ 0.75 0.821024 0.676309 ] [ 0.25 0.02814 0.670324 ] [ 0.75 0.103074 0.175933 ] [ 0.25 0.906653 0.169314 ] [ 0.25 0.777802 0.374305 ] [ 0.75 0.97186 0.329676 ] [ 0.25 0.074362 0.041937 ] [ 0.75 0.593347 0.669314 ] [ 0.25 0.71165 0.552669 ] [ 0.25 0.178976 0.323691 ] [ 0.25 0.396926 0.675933 ] [ 0.75 0.722198 0.874305 ] [ 0.75 0.381915 0.002526 ] [ 0.75 0.093347 0.830686 ] [ 0.75 0.47186 0.170324 ] [ 0.25 0.277802 0.125695 ] [ 0.25 0.574362 0.458063 ] [ 0.75 0.425638 0.541937 ] [ 0.75 0.78835 0.052669 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.13961035 "source-unit" "angstrom" } "b" { "source-value" 17.1350884 "source-unit" "angstrom" } "c" { "source-value" 22.31865922 "source-unit" "angstrom" } }