{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.126381 0.091841 ] [ 0.75 0.873619 0.908159 ] [ 0.25 0.626381 0.408159 ] [ 0.75 0.373619 0.591841 ] [ 0.25 0.485401 0.828737 ] [ 0.75 0.514599 0.171263 ] [ 0.25 0.985401 0.671263 ] [ 0.75 0.014599 0.328737 ] [ 0.25 0.226735 0.423474 ] [ 0.25 0.726735 0.076526 ] [ 0.75 0.273265 0.923474 ] [ 0.75 0.773265 0.576526 ] [ 0.501297 0.816371 0.155584 ] [ 0.001297 0.183629 0.844416 ] [ 0.998703 0.316371 0.344416 ] [ 0.498703 0.683629 0.655584 ] [ 0.501297 0.316371 0.344416 ] [ 0.498703 0.183629 0.844416 ] [ 0.001297 0.683629 0.655584 ] [ 0.998703 0.816371 0.155584 ] [ 0.75 0.014853 0.586734 ] [ 0.25 0.985147 0.413266 ] [ 0.75 0.514853 0.913266 ] [ 0.25 0.485147 0.086734 ] [ 0.75 0.680889 0.413042 ] [ 0.25 0.319111 0.586958 ] [ 0.75 0.180889 0.086958 ] [ 0.25 0.819111 0.913042 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Co" "Co" "Co" "Co" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.73608643 "source-unit" "angstrom" } "b" { "source-value" 9.89200472 "source-unit" "angstrom" } "c" { "source-value" 13.62155211 "source-unit" "angstrom" } }