{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm2_1b" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.673071 0.07766 ] [ 0 0.824645 0.928937 ] [ 0 0.848654 0.252167 ] [ 0.5 0.173071 0.92234 ] [ 0.5 0.16904 0.580377 ] [ 0.5 0.157096 0.251021 ] [ 0 0.324645 0.071063 ] [ 0 0.319766 0.421249 ] [ 0 0.348654 0.747833 ] [ 0.5 0.66904 0.419623 ] [ 0.5 0.657096 0.748979 ] [ 0 0.819766 0.578751 ] [ 0.5 0.500837 0.916314 ] [ 0 0.500549 0.249225 ] [ 0.5 0.998487 0.417594 ] [ 0 0.000549 0.750775 ] [ 0.5 0.000837 0.083686 ] [ 0.5 0.498487 0.582406 ] [ 0 0.111257 0.801627 ] [ 0.5 0.38912 0.866849 ] [ 0.5 0.481513 0.997945 ] [ 0 0.611257 0.198373 ] [ 0.5 0.630487 0.885736 ] [ 0 0.868857 0.783362 ] [ 0.5 0.88912 0.133151 ] [ 0.5 0.889132 0.366041 ] [ 0.5 0.981513 0.002055 ] [ 0.5 0.976662 0.497879 ] [ 0 0.017203 0.670164 ] [ 0.5 0.130654 0.388003 ] [ 0.5 0.130487 0.114264 ] [ 0 0.368857 0.216638 ] [ 0.5 0.389132 0.633959 ] [ 0.5 0.476662 0.502121 ] [ 0 0.517203 0.329836 ] [ 0.5 0.630654 0.611997 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "C" "C" "C" "C" "C" "C" "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" 3.44682293 "source-unit" "angstrom" } "b" { "source-value" 9.23145363 "source-unit" "angstrom" } "c" { "source-value" 15.8950714 "source-unit" "angstrom" } }