{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnnm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.743488 0.155812 0.653812 ] [ 0.243488 0.344188 0.846188 ] [ 0.743488 0.155812 0.346188 ] [ 0.243488 0.344188 0.153812 ] [ 0.756512 0.655812 0.153812 ] [ 0.256512 0.844188 0.346188 ] [ 0.256512 0.844188 0.653812 ] [ 0.756512 0.655812 0.846188 ] [ 0.825327 0.728435 0 ] [ 0.325327 0.771565 0.5 ] [ 0.79952 0.098504 0.20365 ] [ 0.29952 0.401496 0.29635 ] [ 0.70048 0.598504 0.29635 ] [ 0.20048 0.901496 0.20365 ] [ 0.20048 0.901496 0.79635 ] [ 0.70048 0.598504 0.70365 ] [ 0.29952 0.401496 0.70365 ] [ 0.79952 0.098504 0.79635 ] [ 0.674673 0.228435 0.5 ] [ 0.174673 0.271565 0 ] ] } "species" { "source-value" [ "Co" "Co" "C" "C" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.07927737 "source-unit" "angstrom" } "b" { "source-value" 7.14718152 "source-unit" "angstrom" } "c" { "source-value" 7.34214514 "source-unit" "angstrom" } }