{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.518561 0.933481 0.746608 ] [ 0.981439 0.433481 0.753392 ] [ 0.018561 0.566519 0.246608 ] [ 0.481439 0.066519 0.253392 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.165559 0.278284 0.431961 ] [ 0.334441 0.778284 0.068039 ] [ 0.834441 0.721716 0.568039 ] [ 0.665559 0.221716 0.931961 ] [ 0.883997 0.950245 0.270577 ] [ 0.616003 0.450245 0.229423 ] [ 0.116003 0.049755 0.729423 ] [ 0.383997 0.549755 0.770577 ] [ 0.789267 0.673845 0.949033 ] [ 0.710733 0.173845 0.550967 ] [ 0.210733 0.326155 0.050967 ] [ 0.289267 0.826155 0.449033 ] ] } "species" { "source-value" [ "Na" "Na" "La" "La" "La" "La" "Os" "Os" "O" "O" "O" "O" "O" "O" "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" 5.65498104741 "source-unit" "angstrom" } "b" { "source-value" 6.02678578 "source-unit" "angstrom" } "c" { "source-value" 8.1292205653 "source-unit" "angstrom" } "beta" { "source-value" 90.6933178641 "source-unit" "degree" } }