{ "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" [ [ 0.75 0.751419 0.995296 ] [ 0.25 0.248581 0.004704 ] [ 0.25 0.251419 0.504704 ] [ 0.75 0.748581 0.495296 ] [ 0.75 0.395803 0.757393 ] [ 0.25 0.604197 0.242607 ] [ 0.25 0.895803 0.742607 ] [ 0.75 0.104197 0.257393 ] [ 0.014211 0.248457 0.256094 ] [ 0.514211 0.751543 0.743906 ] [ 0.514211 0.748457 0.243906 ] [ 0.014211 0.251543 0.756094 ] [ 0.75 0.421548 0.961004 ] [ 0.25 0.578452 0.038996 ] [ 0.25 0.921548 0.538996 ] [ 0.75 0.078452 0.461004 ] [ 0.75 0.080052 0.053899 ] [ 0.25 0.919948 0.946101 ] [ 0.25 0.580052 0.446101 ] [ 0.75 0.419948 0.553899 ] [ 0.985789 0.748457 0.243906 ] [ 0.485789 0.251543 0.756094 ] [ 0.485789 0.248457 0.256094 ] [ 0.985789 0.751543 0.743906 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Ga" "Ga" "Ga" "Ga" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.73560064 "source-unit" "angstrom" } "b" { "source-value" 7.46079754 "source-unit" "angstrom" } "c" { "source-value" 8.78654425 "source-unit" "angstrom" } }