{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.640637 0.25 ] [ 0 0.359363 0.75 ] [ 0.5 0.140637 0.25 ] [ 0.5 0.859363 0.75 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0.246727 0.545497 ] [ 0 0.753273 0.045497 ] [ 0 0.753273 0.454503 ] [ 0 0.246727 0.954503 ] [ 0.758162 0.974583 0.75 ] [ 0.241838 0.025417 0.25 ] [ 0.758162 0.025417 0.25 ] [ 0.241838 0.974583 0.75 ] [ 0.5 0.746727 0.545497 ] [ 0.5 0.253273 0.045497 ] [ 0.5 0.253273 0.454503 ] [ 0.5 0.746727 0.954503 ] [ 0.258162 0.474583 0.75 ] [ 0.741838 0.525417 0.25 ] [ 0.258162 0.525417 0.25 ] [ 0.741838 0.474583 0.75 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "In" "In" "In" "In" "O" "O" "O" "O" "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" 5.84448369323 "source-unit" "angstrom" } "b" { "source-value" 8.67717673518 "source-unit" "angstrom" } "c" { "source-value" 6.75401002 "source-unit" "angstrom" } }