{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.007321 0.75 0.727795 ] [ 0.492679 0.75 0.227795 ] [ 0.992679 0.25 0.272205 ] [ 0.507321 0.25 0.772205 ] [ 0.55825 0.75 0.913002 ] [ 0.94175 0.75 0.413002 ] [ 0.44175 0.25 0.086998 ] [ 0.05825 0.25 0.586998 ] [ 0.7729 0.532162 0.33393 ] [ 0.2271 0.467838 0.66607 ] [ 0.7271 0.532162 0.83393 ] [ 0.7729 0.967838 0.33393 ] [ 0.2729 0.032162 0.16607 ] [ 0.786012 0.25 0.094033 ] [ 0.2729 0.467838 0.16607 ] [ 0.2271 0.032162 0.66607 ] [ 0.213988 0.75 0.905967 ] [ 0.713988 0.25 0.594033 ] [ 0.789494 0.75 0.558935 ] [ 0.286012 0.75 0.405967 ] [ 0.710506 0.75 0.058935 ] [ 0.289494 0.25 0.941065 ] [ 0.210506 0.25 0.441065 ] [ 0.7271 0.967838 0.83393 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "In" "In" "In" "In" "Ge" "Ge" "Ge" "Ge" "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" 5.06879771 "source-unit" "angstrom" } "b" { "source-value" 6.17447446 "source-unit" "angstrom" } "c" { "source-value" 10.89044405 "source-unit" "angstrom" } }