{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2mm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.007381 0.293084 ] [ 0.751812 0.752745 0 ] [ 0.248188 0.752745 0 ] [ 0 0.007381 0.706916 ] [ 0.5 0.507381 0.293084 ] [ 0.251812 0.252745 0 ] [ 0.748188 0.252745 0 ] [ 0.5 0.507381 0.706916 ] [ 0 0.584915 0.5 ] [ 0.5 0.084915 0.5 ] [ 0 0.482964 0.306622 ] [ 0.829515 0.693322 0.5 ] [ 0.170485 0.693322 0.5 ] [ 0 0.482964 0.693378 ] [ 0.5 0.982964 0.306622 ] [ 0.329515 0.193322 0.5 ] [ 0.670485 0.193322 0.5 ] [ 0.5 0.982964 0.693378 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "C" "C" "O" "O" "O" "O" "O" "O" "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" 6.79743099504 "source-unit" "angstrom" } "b" { "source-value" 7.56442298799 "source-unit" "angstrom" } "c" { "source-value" 6.49755499 "source-unit" "angstrom" } }