{ "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 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.5 ] [ 0.25 0.75 0 ] [ 0.75 0.75 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0 ] [ 0.25 0.25 0 ] [ 0.244542 0 0 ] [ 0 0.760848 0.5 ] [ 0.255458 0.5 0 ] [ 0.5 0.739152 0.5 ] [ 0.744542 0.5 0 ] [ 0.5 0.260848 0.5 ] [ 0.755458 0 0 ] [ 0 0.239152 0.5 ] ] } "species" { "source-value" [ "Li" "Li" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "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" 6.07588299 "source-unit" "angstrom" } "b" { "source-value" 8.33959764 "source-unit" "angstrom" } "c" { "source-value" 2.96385817 "source-unit" "angstrom" } }