{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.760108 0.064668 ] [ 0.75 0.239892 0.935332 ] [ 0.25 0.260108 0.435332 ] [ 0.75 0.739892 0.564668 ] [ 0.994765 0.064142 0.691494 ] [ 0.494765 0.935858 0.308506 ] [ 0.505235 0.564142 0.808506 ] [ 0.005235 0.435858 0.191494 ] [ 0.75 0.853881 0.857252 ] [ 0.25 0.146119 0.142748 ] [ 0.75 0.353881 0.642748 ] [ 0.25 0.646119 0.357252 ] [ 0.75 0.182783 0.24394 ] [ 0.25 0.817217 0.75606 ] [ 0.75 0.682783 0.25606 ] [ 0.25 0.317217 0.74394 ] [ 0.75 0.437729 0.403567 ] [ 0.25 0.562271 0.596433 ] [ 0.75 0.937729 0.096433 ] [ 0.25 0.062271 0.903567 ] [ 0.75 0.098594 0.484641 ] [ 0.25 0.901406 0.515359 ] [ 0.75 0.598594 0.015359 ] [ 0.25 0.401406 0.984641 ] [ 0.994765 0.564142 0.808506 ] [ 0.494765 0.435858 0.191494 ] [ 0.505235 0.064142 0.691494 ] [ 0.005235 0.935858 0.308506 ] ] } "species" { "source-value" [ "Th" "Th" "Th" "Th" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.07840634 "source-unit" "angstrom" } "b" { "source-value" 8.10591276 "source-unit" "angstrom" } "c" { "source-value" 10.11905971 "source-unit" "angstrom" } }