{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0 0.5 ] [ 0.75 0.25 0 ] [ 0.75 0.75 0 ] [ 0.5 0.5 0.5 ] [ 0.25 0.75 0 ] [ 0.25 0.25 0 ] [ 0.761573 0 0 ] [ 0.5 0.249939 0.5 ] [ 0.738427 0.5 0 ] [ 0 0.250061 0.5 ] [ 0.261573 0.5 0 ] [ 0 0.749939 0.5 ] [ 0.238427 0 0 ] [ 0.5 0.750061 0.5 ] ] } "species" { "source-value" [ "Li" "Li" "V" "V" "V" "V" "V" "V" "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" 6.16957711 "source-unit" "angstrom" } "b" { "source-value" 8.64874508 "source-unit" "angstrom" } "c" { "source-value" 3.00285541 "source-unit" "angstrom" } }