{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.16098 0.914013 ] [ 0.5 0.83902 0.085987 ] [ 0 0.16098 0.085987 ] [ 0 0.83902 0.914013 ] [ 0.25 0.5 0 ] [ 0.75 0.5 0 ] [ 0.25 0.5 0.233513 ] [ 0.25 0.5 0.766487 ] [ 0.75 0.5 0.766487 ] [ 0.75 0.5 0.233513 ] [ 0 0.66098 0.414013 ] [ 0 0.33902 0.585987 ] [ 0.5 0.66098 0.585987 ] [ 0.5 0.33902 0.414013 ] [ 0.75 0 0.5 ] [ 0.25 0 0.5 ] [ 0.75 0 0.733513 ] [ 0.75 0 0.266487 ] [ 0.25 0 0.266487 ] [ 0.25 0 0.733513 ] [ 0.5 0.766413 0.877376 ] [ 0.5 0.233587 0.122624 ] [ 0 0.766413 0.122624 ] [ 0 0.233587 0.877376 ] [ 0 0.266413 0.377376 ] [ 0 0.733587 0.622624 ] [ 0.5 0.266413 0.622624 ] [ 0.5 0.733587 0.377376 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "In" "In" "In" "In" "In" "In" "In" "In" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.21399013104 "source-unit" "angstrom" } "b" { "source-value" 7.41797810659 "source-unit" "angstrom" } "c" { "source-value" 14.2935770122 "source-unit" "angstrom" } }