{ "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" [ [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.794694 0 0 ] [ 0 0.310674 0.5 ] [ 0.205306 0 0 ] [ 0 0.689326 0.5 ] [ 0.294694 0.5 0 ] [ 0.5 0.810674 0.5 ] [ 0.705306 0.5 0 ] [ 0.5 0.189326 0.5 ] ] } "species" { "source-value" [ "Cr" "Cr" "Ga" "Ga" "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" 6.32351963 "source-unit" "angstrom" } "b" { "source-value" 6.51805291 "source-unit" "angstrom" } "c" { "source-value" 2.96551972 "source-unit" "angstrom" } }