{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Fm2m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.992459 ] [ 0 0.5 0.492459 ] [ 0.5 0.5 0.992459 ] [ 0.5 0 0.492459 ] [ 0.5 0 0.22874 ] [ 0.5 0.5 0.72874 ] [ 0 0.5 0.22874 ] [ 0 0 0.72874 ] [ 0.5 0 0.75223 ] [ 0.5 0.5 0.25223 ] [ 0 0.5 0.75223 ] [ 0 0 0.25223 ] [ 0 0.79017 0.150994 ] [ 0.728689 0 0.836292 ] [ 0 0.20983 0.150994 ] [ 0.271311 0 0.836292 ] [ 0 0.29017 0.650994 ] [ 0.728689 0.5 0.336292 ] [ 0 0.70983 0.650994 ] [ 0.271311 0.5 0.336292 ] [ 0.5 0.29017 0.150994 ] [ 0.228689 0.5 0.836292 ] [ 0.5 0.70983 0.150994 ] [ 0.771311 0.5 0.836292 ] [ 0.5 0.79017 0.650994 ] [ 0.228689 0 0.336292 ] [ 0.5 0.20983 0.650994 ] [ 0.771311 0 0.336292 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ge" "Ge" "Ge" "Ge" "B" "B" "B" "B" "O" "O" "O" "O" "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" 5.34317806197 "source-unit" "angstrom" } "b" { "source-value" 5.52545404839 "source-unit" "angstrom" } "c" { "source-value" 9.95979594298 "source-unit" "angstrom" } }