{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_13" } "basis-atom-coordinates" { "source-value" [ [ 0.507983 0.492017 0.992017 ] [ 0.492017 0.992017 0.507983 ] [ 0.007983 0.007983 0.007983 ] [ 0.992017 0.507983 0.492017 ] [ 0.621411 0.878589 0.121411 ] [ 0.121411 0.621411 0.878589 ] [ 0.378589 0.378589 0.378589 ] [ 0.878589 0.121411 0.621411 ] [ 0.380943 0.119057 0.880943 ] [ 0.880943 0.380943 0.119057 ] [ 0.119057 0.880943 0.380943 ] [ 0.619057 0.619057 0.619057 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "As" "As" "As" "As" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.58405165 "source-unit" "angstrom" } }