{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.173921 0.5 ] [ 0 0.826079 0.5 ] [ 0.5 0.673921 0.5 ] [ 0.5 0.326079 0.5 ] [ 0.5 0.174687 0 ] [ 0.5 0.825313 0 ] [ 0 0.674687 0 ] [ 0 0.325313 0 ] [ 0.75 0.75 0.771331 ] [ 0.25 0.75 0.228669 ] [ 0.5 0 0 ] [ 0.75 0.25 0.771331 ] [ 0.25 0.25 0.228669 ] [ 0 0 0.5 ] [ 0.25 0.25 0.771331 ] [ 0.75 0.25 0.228669 ] [ 0 0.5 0 ] [ 0.25 0.75 0.771331 ] [ 0.75 0.75 0.228669 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.20986847455 "source-unit" "angstrom" } "b" { "source-value" 10.4010165444 "source-unit" "angstrom" } "c" { "source-value" 5.34152626754 "source-unit" "angstrom" } }