{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0 0.25 0.859929 ] [ 0.5 0.25 0.640071 ] [ 0.5 0 0 ] [ 0.5 0.5 0 ] [ 0.5 0.75 0.359929 ] [ 0 0.75 0.140071 ] [ 0 0.5 0.5 ] [ 0 0 0.5 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.75 ] [ 0.75 0.25 0.25 ] [ 0.25 0.25 0.25 ] [ 0.264217 0.75 0.012359 ] [ 0.5 0.986002 0.767278 ] [ 0.735783 0.75 0.012359 ] [ 0.5 0.513998 0.767278 ] [ 0 0.986002 0.732722 ] [ 0.264217 0.25 0.987641 ] [ 0 0.513998 0.732722 ] [ 0.735783 0.25 0.987641 ] [ 0.764217 0.25 0.512359 ] [ 0 0.486002 0.267278 ] [ 0.235783 0.25 0.512359 ] [ 0 0.013998 0.267278 ] [ 0.5 0.486002 0.232722 ] [ 0.764217 0.75 0.487641 ] [ 0.5 0.013998 0.232722 ] [ 0.235783 0.75 0.487641 ] ] } "species" { "source-value" [ "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Cu" "Cu" "Cu" "Cu" "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" 5.73981165128 "source-unit" "angstrom" } "b" { "source-value" 5.8743839948 "source-unit" "angstrom" } "c" { "source-value" 8.81768302161 "source-unit" "angstrom" } }