{ "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 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.804145 0 0 ] [ 0 0.309765 0.5 ] [ 0.195855 0 0 ] [ 0 0.690235 0.5 ] [ 0.304145 0.5 0 ] [ 0.5 0.809765 0.5 ] [ 0.695855 0.5 0 ] [ 0.5 0.190235 0.5 ] ] } "species" { "source-value" [ "Cr" "Cr" "Ir" "Ir" "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" 6.3755512 "source-unit" "angstrom" } "b" { "source-value" 6.49031196 "source-unit" "angstrom" } "c" { "source-value" 3.11761663 "source-unit" "angstrom" } }