{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.890539 0.25 ] [ 0 0.109461 0.75 ] [ 0.5 0.390539 0.25 ] [ 0.5 0.609461 0.75 ] [ 0.5 0.865714 0.936983 ] [ 0.5 0.134286 0.436983 ] [ 0.5 0.865714 0.563017 ] [ 0.5 0.134286 0.063017 ] [ 0 0.365714 0.936983 ] [ 0 0.634286 0.436983 ] [ 0 0.365714 0.563017 ] [ 0 0.634286 0.063017 ] [ 0 0.837449 0.75 ] [ 0 0.162551 0.25 ] [ 0.5 0.337449 0.75 ] [ 0.5 0.662551 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.762743 0.111198 ] [ 0.5 0.237257 0.888802 ] [ 0.5 0.930989 0.75 ] [ 0.5 0.762743 0.388802 ] [ 0.5 0.069011 0.25 ] [ 0.5 0.237257 0.611198 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0.262743 0.111198 ] [ 0 0.737257 0.888802 ] [ 0 0.430989 0.75 ] [ 0 0.262743 0.388802 ] [ 0 0.569011 0.25 ] [ 0 0.737257 0.611198 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Cu" "Cu" "Cu" "Cu" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.96229228 "source-unit" "angstrom" } "b" { "source-value" 13.53819072 "source-unit" "angstrom" } "c" { "source-value" 13.75467726 "source-unit" "angstrom" } }