{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccm2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.113621 0.249903 ] [ 0.5 0.886379 0.749903 ] [ 0 0.613621 0.249903 ] [ 0 0.386379 0.749903 ] [ 0 0.844461 0.234097 ] [ 0 0.155539 0.734097 ] [ 0.5 0.344461 0.234097 ] [ 0.5 0.655539 0.734097 ] ] } "species" { "source-value" [ "In" "In" "In" "In" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.41143523156 "source-unit" "angstrom" } "b" { "source-value" 12.4398762545 "source-unit" "angstrom" } "c" { "source-value" 4.54414566 "source-unit" "angstrom" } }