{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.24556 0.651818 ] [ 0.25 0.75444 0.348182 ] [ 0.75 0.74556 0.848182 ] [ 0.25 0.25444 0.151818 ] [ 0.25 0.941303 0.11667 ] [ 0.75 0.058697 0.88333 ] [ 0.25 0.441303 0.38333 ] [ 0.75 0.558697 0.61667 ] [ 0.75 0.586723 0.103523 ] [ 0.25 0.413277 0.896477 ] [ 0.75 0.086723 0.396477 ] [ 0.25 0.913277 0.603523 ] [ 0.25 0.911815 0.929665 ] [ 0.75 0.088185 0.070335 ] [ 0.25 0.411815 0.570335 ] [ 0.75 0.588185 0.429665 ] [ 0.25 0.036941 0.283601 ] [ 0.75 0.963059 0.716399 ] [ 0.25 0.536941 0.216399 ] [ 0.75 0.463059 0.783601 ] [ 0.25 0.61985 0.970691 ] [ 0.75 0.38015 0.029309 ] [ 0.25 0.11985 0.529309 ] [ 0.75 0.88015 0.470691 ] [ 0.75 0.799338 0.168365 ] [ 0.25 0.200662 0.831635 ] [ 0.75 0.299338 0.331635 ] [ 0.25 0.700662 0.668365 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "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" 2.81448446 "source-unit" "angstrom" } "b" { "source-value" 8.75890602 "source-unit" "angstrom" } "c" { "source-value" 10.03259804 "source-unit" "angstrom" } }