{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.75 0.226385 ] [ 0.5 0.75 0.124288 ] [ 0.5 0.25 0.174341 ] [ 0.5 0.75 0.924971 ] [ 0.5 0.75 0.02455 ] [ 0.5 0.25 0.773615 ] [ 0.5 0.25 0.875712 ] [ 0.5 0.75 0.825659 ] [ 0.5 0.25 0.075029 ] [ 0.5 0.25 0.97545 ] [ 0 0.25 0.726385 ] [ 0 0.25 0.624288 ] [ 0 0.75 0.674341 ] [ 0 0.25 0.424971 ] [ 0 0.25 0.52455 ] [ 0 0.75 0.273615 ] [ 0 0.75 0.375712 ] [ 0 0.25 0.325659 ] [ 0 0.75 0.575029 ] [ 0 0.75 0.47545 ] [ 0 0.75 0.776141 ] [ 0 0.75 0.174024 ] [ 0 0.75 0.875317 ] [ 0 0.25 0.124683 ] [ 0 0.75 0.97485 ] [ 0 0.25 0.02515 ] [ 0 0.25 0.825976 ] [ 0 0.75 0.074251 ] [ 0 0.25 0.925749 ] [ 0 0.25 0.223859 ] [ 0.5 0.25 0.276141 ] [ 0.5 0.25 0.674024 ] [ 0.5 0.25 0.375317 ] [ 0.5 0.75 0.624683 ] [ 0.5 0.25 0.47485 ] [ 0.5 0.75 0.52515 ] [ 0.5 0.75 0.325976 ] [ 0.5 0.25 0.574251 ] [ 0.5 0.75 0.425749 ] [ 0.5 0.75 0.723859 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.66287642158 "source-unit" "angstrom" } "b" { "source-value" 4.04627013999 "source-unit" "angstrom" } "c" { "source-value" 40.5044887249 "source-unit" "angstrom" } }