{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-4" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.25 ] [ 0 0.5 0.75 ] [ 0.287019 0.168066 0.132598 ] [ 0.712981 0.831934 0.132598 ] [ 0.831934 0.287019 0.867402 ] [ 0.168066 0.712981 0.867402 ] [ 0.787019 0.668066 0.632598 ] [ 0.212981 0.331934 0.632598 ] [ 0.331934 0.787019 0.367402 ] [ 0.668066 0.212981 0.367402 ] ] } "species" { "source-value" [ "Li" "Li" "Ge" "Ge" "B" "B" "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" 4.56149343 "source-unit" "angstrom" } "c" { "source-value" 6.99064973 "source-unit" "angstrom" } }