{ "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" [ [ 0.251378 0.992436 0.650336 ] [ 0.751378 0.507564 0.349664 ] [ 0.748622 0.492436 0.849664 ] [ 0.248622 0.007564 0.150336 ] [ 0.355856 0.996694 0.94533 ] [ 0.855856 0.503306 0.05467 ] [ 0.644144 0.496694 0.55467 ] [ 0.144144 0.003306 0.44533 ] [ 0.234318 0.998842 0.883999 ] [ 0.734318 0.501158 0.116001 ] [ 0.765682 0.498842 0.616001 ] [ 0.265682 0.001158 0.383999 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "H" "H" "H" "H" "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" 4.41278272 "source-unit" "angstrom" } "b" { "source-value" 4.46863617 "source-unit" "angstrom" } "c" { "source-value" 13.18941088 "source-unit" "angstrom" } }