{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.755128 0.827054 ] [ 0 0.244872 0.827054 ] [ 0 0.755128 0.172946 ] [ 0.5 0.244872 0.172946 ] [ 0 0.255128 0.327054 ] [ 0.5 0.744872 0.327054 ] [ 0.5 0.255128 0.672946 ] [ 0 0.744872 0.672946 ] [ 0.75 0 0 ] [ 0.25 0 0 ] [ 0.25 0.5 0.5 ] [ 0.75 0.5 0.5 ] [ 0.25 0.5 0 ] [ 0.75 0.5 0 ] [ 0.75 0 0.5 ] [ 0.25 0 0.5 ] [ 0.5 0.702118 0.094812 ] [ 0.5 0.297882 0.905188 ] [ 0 0.702118 0.905188 ] [ 0 0.297882 0.094812 ] [ 0 0.202118 0.594812 ] [ 0 0.797882 0.405188 ] [ 0.5 0.202118 0.405188 ] [ 0.5 0.797882 0.594812 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Na" "Na" "Na" "Na" "Ga" "Ga" "Ga" "Ga" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.65472949 "source-unit" "angstrom" } "b" { "source-value" 6.80128231 "source-unit" "angstrom" } "c" { "source-value" 15.06773715 "source-unit" "angstrom" } }