{ "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 0.818294 0.24876 ] [ 0 0.181706 0.74876 ] [ 0.5 0.318294 0.24876 ] [ 0.5 0.681706 0.74876 ] [ 0.5 0.981378 0.421074 ] [ 0.5 0.018622 0.921074 ] [ 0 0.116592 0.219214 ] [ 0 0.883408 0.719214 ] [ 0 0.481378 0.421074 ] [ 0 0.518622 0.921074 ] [ 0.5 0.616592 0.219214 ] [ 0.5 0.383408 0.719214 ] [ 0.5 0.947186 0.257059 ] [ 0.5 0.052814 0.757059 ] [ 0 0.204406 0.157194 ] [ 0 0.795594 0.657194 ] [ 0 0.447186 0.257059 ] [ 0 0.552814 0.757059 ] [ 0.5 0.704406 0.157194 ] [ 0.5 0.295594 0.657194 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "H" "H" "H" "H" "H" "H" "H" "H" "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" 2.96958598992 "source-unit" "angstrom" } "b" { "source-value" 10.4489352175 "source-unit" "angstrom" } "c" { "source-value" 5.60887789 "source-unit" "angstrom" } }