{ "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" [ [ 0.25 0.869565 0.080265 ] [ 0.75 0.507032 0.116377 ] [ 0.25 0.007032 0.383623 ] [ 0.75 0.369565 0.419735 ] [ 0.25 0.630435 0.580265 ] [ 0.75 0.992968 0.616377 ] [ 0.25 0.492968 0.883623 ] [ 0.75 0.130435 0.919735 ] [ 0.25 0.275444 0.167589 ] [ 0.75 0.105318 0.213213 ] [ 0.25 0.605318 0.286787 ] [ 0.75 0.775444 0.332411 ] [ 0.25 0.224556 0.667589 ] [ 0.75 0.394682 0.713213 ] [ 0.25 0.894682 0.786787 ] [ 0.75 0.724556 0.832411 ] [ 0.25 0.4757 0.178641 ] [ 0.999491 0.174914 0.160546 ] [ 0.500509 0.174914 0.160546 ] [ 0.000509 0.674914 0.339454 ] [ 0.499491 0.674914 0.339454 ] [ 0.75 0.9757 0.321359 ] [ 0.25 0.0243 0.678641 ] [ 0.999491 0.325086 0.660546 ] [ 0.500509 0.325086 0.660546 ] [ 0.499491 0.825086 0.839454 ] [ 0.000509 0.825086 0.839454 ] [ 0.75 0.5243 0.821359 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "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" 5.40352939 "source-unit" "angstrom" } "b" { "source-value" 7.78548714 "source-unit" "angstrom" } "c" { "source-value" 10.9646788 "source-unit" "angstrom" } }