{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.021551 0 0.994914 ] [ 0.85253 0.5 0.829109 ] [ 0.16915 0.5 0.666657 ] [ 0.998806 0 0.50283 ] [ 0.521551 0.5 0.994914 ] [ 0.35253 0 0.829109 ] [ 0.66915 0 0.666657 ] [ 0.498806 0.5 0.50283 ] [ 0.83772 0.5 0.329388 ] [ 0.171744 0.5 0.156188 ] [ 0.33772 0 0.329388 ] [ 0.671744 0 0.156188 ] [ 0.181729 0.5 0.785239 ] [ 0.215407 0.5 0.936542 ] [ 0.999369 0 0.624782 ] [ 0.027989 0 0.869731 ] [ 0.832136 0.5 0.455364 ] [ 0.839649 0.5 0.707442 ] [ 0.167775 0.5 0.318167 ] [ 0.167961 0.5 0.54315 ] [ 0.995351 0 0.268091 ] [ 0.998692 0 0.137861 ] [ 0.99947 0 0.386791 ] [ 0.820764 0.5 0.088956 ] [ 0.829195 0.5 0.211533 ] [ 0.147676 0.5 0.046433 ] [ 0.681729 0 0.785239 ] [ 0.715407 0 0.936542 ] [ 0.499369 0.5 0.624782 ] [ 0.527989 0.5 0.869731 ] [ 0.332136 0 0.455364 ] [ 0.339649 0 0.707442 ] [ 0.667775 0 0.318167 ] [ 0.667961 0 0.54315 ] [ 0.495351 0.5 0.268091 ] [ 0.498692 0.5 0.137861 ] [ 0.49947 0.5 0.386791 ] [ 0.320764 0 0.088956 ] [ 0.329195 0 0.211533 ] [ 0.647676 0 0.046433 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "La" "La" "La" "La" "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" 7.21397297 "source-unit" "angstrom" } "b" { "source-value" 4.10632412 "source-unit" "angstrom" } "c" { "source-value" 21.09164093 "source-unit" "angstrom" } "beta" { "source-value" 91.38399691 "source-unit" "degree" } }