{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm2_1b" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.144769 0.448947 ] [ 0.5 0.644769 0.551053 ] [ 0 0.114422 0.785508 ] [ 0 0.475075 0.853384 ] [ 0 0.614422 0.214492 ] [ 0.5 0.803614 0.953382 ] [ 0.5 0.303614 0.046618 ] [ 0 0.975075 0.146616 ] [ 0.5 0.485195 0.237931 ] [ 0.5 0.985195 0.762069 ] [ 0 0.746571 0.007636 ] [ 0.5 0.52182 0.858576 ] [ 0 0.337605 0.629364 ] [ 0 0.246571 0.992364 ] [ 0.5 0.02182 0.141424 ] [ 0 0.837605 0.370636 ] ] } "species" { "source-value" [ "Cs" "Cs" "Li" "Li" "Li" "Li" "Li" "Li" "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" 5.06330741 "source-unit" "angstrom" } "b" { "source-value" 8.82544524 "source-unit" "angstrom" } "c" { "source-value" 11.01339698 "source-unit" "angstrom" } }