{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.948844 0.348989 ] [ 0.25 0.448844 0.151011 ] [ 0.25 0.051156 0.651011 ] [ 0.75 0.551156 0.848989 ] [ 0.75 0.796974 0.601178 ] [ 0.25 0.296974 0.898822 ] [ 0.25 0.203026 0.398822 ] [ 0.75 0.703026 0.101178 ] [ 0.75 0.623657 0.465709 ] [ 0.25 0.123657 0.034291 ] [ 0.25 0.376343 0.534291 ] [ 0.75 0.876343 0.965709 ] [ 0.75 0.093407 0.554823 ] [ 0.25 0.593407 0.945177 ] [ 0.25 0.906593 0.445177 ] [ 0.75 0.406593 0.054823 ] [ 0.995832 0.764152 0.197981 ] [ 0.004168 0.264152 0.302019 ] [ 0.495832 0.235848 0.802019 ] [ 0.504168 0.735848 0.697981 ] [ 0.004168 0.235848 0.802019 ] [ 0.995832 0.735848 0.697981 ] [ 0.504168 0.764152 0.197981 ] [ 0.495832 0.264152 0.302019 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Ga" "Ga" "Ga" "Ga" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "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" 7.65338194 "source-unit" "angstrom" } "b" { "source-value" 7.65980741 "source-unit" "angstrom" } "c" { "source-value" 14.26883817 "source-unit" "angstrom" } }