{ "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" [ [ 0.894461 0.25 0.923125 ] [ 0.105539 0.75 0.076875 ] [ 0.204305 0.938901 0.76831 ] [ 0.795695 0.438901 0.23169 ] [ 0.795695 0.061099 0.23169 ] [ 0.204305 0.561099 0.76831 ] [ 0.433093 0.25 0.523822 ] [ 0.566907 0.75 0.476178 ] [ 0.355793 0.872682 0.548981 ] [ 0.644207 0.372682 0.451019 ] [ 0.644207 0.127318 0.451019 ] [ 0.355793 0.627318 0.548981 ] [ 0.181962 0.25 0.054831 ] [ 0.818038 0.75 0.945169 ] [ 0.230435 0.910097 0.949308 ] [ 0.769565 0.410097 0.050692 ] [ 0.319232 0.75 0.777388 ] [ 0.680768 0.25 0.222612 ] [ 0.820274 0.75 0.620003 ] [ 0.179726 0.25 0.379997 ] [ 0.588633 0.518992 0.786225 ] [ 0.411367 0.018992 0.213775 ] [ 0.411367 0.481008 0.213775 ] [ 0.588633 0.981008 0.786225 ] [ 0.313908 0.75 0.332914 ] [ 0.686092 0.25 0.667086 ] [ 0.775707 0.874538 0.407048 ] [ 0.224293 0.374538 0.592952 ] [ 0.224293 0.125462 0.592952 ] [ 0.775707 0.625462 0.407048 ] [ 0.865158 0.874953 0.156115 ] [ 0.134842 0.374953 0.843885 ] [ 0.134842 0.125047 0.843885 ] [ 0.865158 0.625047 0.156115 ] [ 0.230435 0.589903 0.949308 ] [ 0.769565 0.089903 0.050692 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "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" 4.91639023349 "source-unit" "angstrom" } "b" { "source-value" 11.06527009 "source-unit" "angstrom" } "c" { "source-value" 11.0412751873 "source-unit" "angstrom" } "beta" { "source-value" 95.4698956673 "source-unit" "degree" } }