{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.32996 0.601313 ] [ 0.5 0.17004 0.101313 ] [ 0 0.600423 0.738123 ] [ 0 0.5 0 ] [ 0.5 0.67004 0.398687 ] [ 0.5 0.82996 0.898687 ] [ 0 0.899577 0.238123 ] [ 0 0.399577 0.261877 ] [ 0 0.100423 0.761877 ] [ 0 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.650064 0.145644 ] [ 0.5 0.349936 0.854356 ] [ 0.5 0.150064 0.354356 ] [ 0.5 0.849936 0.645644 ] [ 0 0.680666 0.389766 ] [ 0 0.819334 0.889766 ] [ 0 0.180666 0.110234 ] [ 0 0.319334 0.610234 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "Au" "Au" "I" "I" "I" "I" "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" 5.60007327 "source-unit" "angstrom" } "b" { "source-value" 7.34781313 "source-unit" "angstrom" } "c" { "source-value" 14.2606556 "source-unit" "angstrom" } }