{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.396888 0.526874 0.278654 ] [ 0.103112 0.473126 0.778654 ] [ 0.896888 0.973126 0.721346 ] [ 0.603112 0.026874 0.221346 ] [ 0.640001 0.877843 0.324108 ] [ 0.859999 0.122157 0.824108 ] [ 0.140001 0.622157 0.675892 ] [ 0.359999 0.377843 0.175892 ] [ 0.884969 0.754581 0.192148 ] [ 0.615031 0.245419 0.692148 ] [ 0.384969 0.745419 0.807852 ] [ 0.115031 0.254581 0.307852 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.33214539 "source-unit" "angstrom" } "b" { "source-value" 5.25619193 "source-unit" "angstrom" } "c" { "source-value" 5.80023512 "source-unit" "angstrom" } }