{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnam" } "basis-atom-coordinates" { "source-value" [ [ 0.985051 0.004604 0.75 ] [ 0.485051 0.495396 0.75 ] [ 0.514949 0.504604 0.25 ] [ 0.014949 0.995396 0.25 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.510728 0.931608 0.75 ] [ 0.010728 0.568392 0.75 ] [ 0.989272 0.431608 0.25 ] [ 0.489272 0.068392 0.25 ] [ 0.728379 0.271298 0.963581 ] [ 0.228379 0.228702 0.536419 ] [ 0.771621 0.771298 0.036419 ] [ 0.271621 0.728702 0.463581 ] [ 0.271621 0.728702 0.036419 ] [ 0.771621 0.771298 0.463581 ] [ 0.228379 0.228702 0.963581 ] [ 0.728379 0.271298 0.536419 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Pu" "Pu" "Pu" "Pu" "O" "O" "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" 6.20219593 "source-unit" "angstrom" } "b" { "source-value" 6.23904291 "source-unit" "angstrom" } "c" { "source-value" 8.76187339 "source-unit" "angstrom" } }