{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.653934 0.25 0.321466 ] [ 0.346066 0.75 0.678534 ] [ 0.123644 0.25 0.317841 ] [ 0.73229 0.25 0.846569 ] [ 0.143793 0.25 0.874377 ] [ 0.876356 0.75 0.682159 ] [ 0.26771 0.75 0.153431 ] [ 0.856207 0.75 0.125623 ] [ 0.30269 0.25 0.39242 ] [ 0.625735 0.25 0.922213 ] [ 0.077618 0.25 0.698 ] [ 0.69731 0.75 0.60758 ] [ 0.374265 0.75 0.077787 ] [ 0.922382 0.75 0.302 ] ] } "species" { "source-value" [ "Yb" "Yb" "H" "H" "H" "H" "H" "H" "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" 6.19647041589 "source-unit" "angstrom" } "b" { "source-value" 3.53943358 "source-unit" "angstrom" } "c" { "source-value" 6.28005835903 "source-unit" "angstrom" } "beta" { "source-value" 118.281442367 "source-unit" "degree" } }