{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.030519 0.5 0.830962 ] [ 0.822456 0.5 0.853158 ] [ 0.177544 0.5 0.146842 ] [ 0.969481 0.5 0.169038 ] [ 0.887906 0.5 0.511741 ] [ 0.112094 0.5 0.488259 ] [ 0.530519 0 0.830962 ] [ 0.322456 0 0.853158 ] [ 0.677544 0 0.146842 ] [ 0.469481 0 0.169038 ] [ 0.387906 0 0.511741 ] [ 0.612094 0 0.488259 ] [ 0.068166 0 0.044338 ] [ 0.023342 0 0.615788 ] [ 0.906967 0 0.719754 ] [ 0.976658 0 0.384212 ] [ 0.093033 0 0.280246 ] [ 0.931834 0 0.955662 ] [ 0.568166 0.5 0.044338 ] [ 0.523342 0.5 0.615788 ] [ 0.406967 0.5 0.719754 ] [ 0.476658 0.5 0.384212 ] [ 0.593033 0.5 0.280246 ] [ 0.431834 0.5 0.955662 ] [ 0.775383 0 0.391186 ] [ 0.200529 0.5 0.870131 ] [ 0.224617 0 0.608814 ] [ 0.799471 0.5 0.129869 ] [ 0.275383 0.5 0.391186 ] [ 0.700529 0 0.870131 ] [ 0.724617 0.5 0.608814 ] [ 0.299471 0 0.129869 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 18.87507477 "source-unit" "angstrom" } "b" { "source-value" 4.38551928 "source-unit" "angstrom" } "c" { "source-value" 11.04146073 "source-unit" "angstrom" } "beta" { "source-value" 98.15819069 "source-unit" "degree" } }