{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.228203 0.75 0.592346 ] [ 0.728203 0.75 0.907654 ] [ 0.771797 0.25 0.407654 ] [ 0.271797 0.25 0.092346 ] [ 0.681277 0.25 0.675857 ] [ 0.181277 0.25 0.824143 ] [ 0.318723 0.75 0.324143 ] [ 0.818723 0.75 0.175857 ] [ 0.34071 0.25 0.713486 ] [ 0.84071 0.25 0.786514 ] [ 0.65929 0.75 0.286514 ] [ 0.15929 0.75 0.213486 ] [ 0.264978 0.541466 0.378809 ] [ 0.764978 0.958534 0.121191 ] [ 0.735022 0.041466 0.621191 ] [ 0.235022 0.458534 0.878809 ] [ 0.764978 0.541466 0.121191 ] [ 0.264978 0.958534 0.378809 ] [ 0.235022 0.041466 0.878809 ] [ 0.735022 0.458534 0.621191 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "P" "P" "P" "P" "O" "O" "O" "O" "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" 4.57624682 "source-unit" "angstrom" } "b" { "source-value" 6.20803719 "source-unit" "angstrom" } "c" { "source-value" 13.15709864 "source-unit" "angstrom" } }