{ "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" [ [ 0.5 0.5 0.889111 ] [ 0 0 0.110889 ] [ 0 0.5 0.664281 ] [ 0.5 0 0.335719 ] [ 0 0.5 0.025689 ] [ 0.5 0 0.974311 ] ] } "species" { "source-value" [ "Tm" "Tm" "Br" "Br" "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" 3.77933489 "source-unit" "angstrom" } "b" { "source-value" 4.14338967 "source-unit" "angstrom" } "c" { "source-value" 9.19362931 "source-unit" "angstrom" } }