{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.175913 0.003495 0.66655 ] [ 0.324087 0.003495 0.16655 ] [ 0.175913 0.496505 0.66655 ] [ 0.324087 0.496505 0.16655 ] [ 0.675913 0.503495 0.83345 ] [ 0.824087 0.503495 0.33345 ] [ 0.824087 0.996505 0.33345 ] [ 0.675913 0.996505 0.83345 ] [ 0.681114 0.25 0.582269 ] [ 0.818886 0.25 0.082269 ] [ 0.181114 0.75 0.917731 ] [ 0.318886 0.75 0.417731 ] [ 0.16501 0.25 0.915386 ] [ 0.33499 0.25 0.415386 ] [ 0.66501 0.75 0.584614 ] [ 0.83499 0.75 0.084614 ] [ 0.281962 0.037741 0.853927 ] [ 0.218038 0.037741 0.353927 ] [ 0.869349 0.25 0.900378 ] [ 0.297987 0.25 0.558001 ] [ 0.202013 0.25 0.058001 ] [ 0.630651 0.25 0.400378 ] [ 0.281962 0.462259 0.853927 ] [ 0.218038 0.462259 0.353927 ] [ 0.718038 0.537741 0.146073 ] [ 0.781962 0.537741 0.646073 ] [ 0.797987 0.75 0.941999 ] [ 0.369349 0.75 0.599622 ] [ 0.702013 0.75 0.441999 ] [ 0.130651 0.75 0.099622 ] [ 0.781962 0.962259 0.646073 ] [ 0.718038 0.962259 0.146073 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "B" "B" "B" "B" "O" "O" "O" "O" "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" 5.00254898 "source-unit" "angstrom" } "b" { "source-value" 5.79388056 "source-unit" "angstrom" } "c" { "source-value" 10.34494683 "source-unit" "angstrom" } }