{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm2m" } "basis-atom-coordinates" { "source-value" [ [ 0.542431 0 0 ] [ 0.870918 0 0.5 ] [ 0.288543 0 0.5 ] [ 0.042431 0.5 0 ] [ 0.370918 0.5 0.5 ] [ 0.788543 0.5 0.5 ] [ 0.169936 0.213187 0 ] [ 0.169936 0.786813 0 ] [ 0.669936 0.713187 0 ] [ 0.669936 0.286813 0 ] [ 0.993291 0.285148 0.5 ] [ 0.941994 0 0 ] [ 0.993291 0.714852 0.5 ] [ 0.493291 0.785148 0.5 ] [ 0.441994 0.5 0 ] [ 0.493291 0.214852 0.5 ] [ 0.132274 0 0 ] [ 0.849712 0.105131 0 ] [ 0.075283 0.825017 0.5 ] [ 0.958224 0.341127 0.266376 ] [ 0.849712 0.894869 0 ] [ 0.075283 0.174983 0.5 ] [ 0.958224 0.658873 0.266376 ] [ 0.958224 0.341127 0.733624 ] [ 0.958224 0.658873 0.733624 ] [ 0.632274 0.5 0 ] [ 0.349712 0.605131 0 ] [ 0.575283 0.325017 0.5 ] [ 0.458224 0.841127 0.266376 ] [ 0.349712 0.394869 0 ] [ 0.575283 0.674983 0.5 ] [ 0.458224 0.158873 0.266376 ] [ 0.458224 0.841127 0.733624 ] [ 0.458224 0.158873 0.733624 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "La" "La" "La" "La" "B" "B" "B" "B" "B" "B" "O" "O" "O" "O" "O" "O" "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" 7.35494731051 "source-unit" "angstrom" } "b" { "source-value" 11.3864943652 "source-unit" "angstrom" } "c" { "source-value" 5.18312452 "source-unit" "angstrom" } }