{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.280145 0.132248 0.084573 ] [ 0.093881 0.308438 0.742588 ] [ 0.720317 0.198563 0.40277 ] [ 0.388568 0.868749 0.565056 ] [ 0.71043 0.794624 0.958929 ] [ 0.034032 0.779966 0.253802 ] [ 0.028004 0.963618 0.373097 ] [ 0.770708 0.035851 0.062919 ] [ 0.232705 0.874169 0.988686 ] [ 0.338773 0.978457 0.205037 ] [ 0.682278 0.089353 0.52797 ] [ 0.62677 0.920298 0.694978 ] [ 0.108414 0.597901 0.705027 ] [ 0.621601 0.355322 0.761032 ] [ 0.102495 0.368083 0.45778 ] [ 0.752086 0.571441 0.051096 ] [ 0.167793 0.402027 0.87761 ] [ 0.657916 0.634856 0.531714 ] [ 0.41062 0.626034 0.31222 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.24631771 "source-unit" "angstrom" } "b" { "source-value" 6.25583709 "source-unit" "angstrom" } "c" { "source-value" 14.20583306 "source-unit" "angstrom" } "alpha" { "source-value" 93.77927617 "source-unit" "degree" } "beta" { "source-value" 97.97563564 "source-unit" "degree" } "gamma" { "source-value" 90.80480597 "source-unit" "degree" } }