{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcm" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0 0.129438 ] [ 0.25 0 0.870562 ] [ 0.25 0.5 0.629438 ] [ 0.75 0.5 0.370562 ] [ 0 0 0.5 ] [ 0.75 0.75 0.75 ] [ 0.75 0.25 0.75 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.25 ] [ 0 0.5 0 ] [ 0.987522 0 0.732151 ] [ 0.512478 0 0.732151 ] [ 0.012478 0 0.267849 ] [ 0.75 0.274513 0.995458 ] [ 0.487522 0 0.267849 ] [ 0.75 0.725487 0.995458 ] [ 0.25 0.725487 0.004542 ] [ 0.25 0.274513 0.004542 ] [ 0.487522 0.5 0.232151 ] [ 0.012478 0.5 0.232151 ] [ 0.512478 0.5 0.767849 ] [ 0.25 0.774513 0.495458 ] [ 0.987522 0.5 0.767849 ] [ 0.25 0.225487 0.495458 ] [ 0.75 0.225487 0.504542 ] [ 0.75 0.774513 0.504542 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "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" 6.27611534291 "source-unit" "angstrom" } "b" { "source-value" 6.2866748418 "source-unit" "angstrom" } "c" { "source-value" 8.85581233274 "source-unit" "angstrom" } }