{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnmb" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.743488 0.5 0.615851 ] [ 0.5 0.5 0 ] [ 0.230464 0.75 0.75 ] [ 0.769536 0.25 0.25 ] [ 0.256512 0.5 0.384149 ] [ 0.743488 0 0.884149 ] [ 0.769536 0.75 0.25 ] [ 0.230464 0.25 0.75 ] [ 0.5 0 0.5 ] [ 0.256512 0 0.115851 ] [ 0.517974 0.5 0.242809 ] [ 0.259442 0.761981 0.511695 ] [ 0.00922 0 0.755137 ] [ 0.740558 0.261981 0.011695 ] [ 0.99078 0 0.244863 ] [ 0.259442 0.738019 0.988305 ] [ 0.482026 0.5 0.757191 ] [ 0.740558 0.238019 0.488305 ] [ 0.259442 0.261981 0.988305 ] [ 0.517974 0 0.257191 ] [ 0.740558 0.761981 0.488305 ] [ 0.00922 0.5 0.744863 ] [ 0.259442 0.238019 0.511695 ] [ 0.99078 0.5 0.255137 ] [ 0.740558 0.738019 0.011695 ] [ 0.482026 0 0.742809 ] ] } "species" { "source-value" [ "Li" "Li" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "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" 5.84157256711 "source-unit" "angstrom" } "b" { "source-value" 5.94309014821 "source-unit" "angstrom" } "c" { "source-value" 8.29703471 "source-unit" "angstrom" } }