{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0 0 0.187786 ] [ 0 0 0.812214 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.687786 ] [ 0.5 0.5 0.312214 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.332985 0.876541 ] [ 0.5 0.667015 0.123459 ] [ 0.5 0.332985 0.123459 ] [ 0.5 0.667015 0.876541 ] [ 0 0.832985 0.376541 ] [ 0 0.167015 0.623459 ] [ 0 0.832985 0.623459 ] [ 0 0.167015 0.376541 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Co" "Co" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.43519046938 "source-unit" "angstrom" } "b" { "source-value" 4.34342838402 "source-unit" "angstrom" } "c" { "source-value" 11.9859247054 "source-unit" "angstrom" } }