{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmmn" } "basis-atom-coordinates" { "source-value" [ [ 0.777264 0.754068 0.5 ] [ 0.222736 0.754068 0.5 ] [ 0.277264 0.245932 0 ] [ 0.722736 0.245932 0 ] [ 0.5 0.944483 0 ] [ 0.5 0.889835 0.363627 ] [ 0.5 0.889835 0.636373 ] [ 0 0.604871 0.348203 ] [ 0 0.604871 0.651797 ] [ 0 0.518728 0 ] [ 0.5 0.481272 0.5 ] [ 0.5 0.395129 0.848203 ] [ 0.5 0.395129 0.151797 ] [ 0 0.110165 0.863627 ] [ 0 0.110165 0.136373 ] [ 0 0.055517 0.5 ] ] } "species" { "source-value" [ "Tc" "Tc" "Tc" "Tc" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.05674057 "source-unit" "angstrom" } "b" { "source-value" 7.11298393 "source-unit" "angstrom" } "c" { "source-value" 12.30590013 "source-unit" "angstrom" } }