{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.202979 ] [ 0 0.5 0.797021 ] [ 0.5 0 0.702979 ] [ 0.5 0 0.297021 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.5 0.25734 0.8517 ] [ 0.5 0.74266 0.1483 ] [ 0.5 0.25734 0.1483 ] [ 0.5 0.74266 0.8517 ] [ 0 0.5 0 ] [ 0 0.75734 0.3517 ] [ 0 0.24266 0.6483 ] [ 0 0.75734 0.6483 ] [ 0 0.24266 0.3517 ] [ 0.5 0 0.5 ] ] } "species" { "source-value" [ "Ba" "Ba" "Sm" "Sm" "Sm" "Sm" "Co" "Co" "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" 3.81947428606 "source-unit" "angstrom" } "b" { "source-value" 5.94235556293 "source-unit" "angstrom" } "c" { "source-value" 11.8090339862 "source-unit" "angstrom" } }