{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.092102 0.189876 0.795709 ] [ 0.592102 0.310124 0.204291 ] [ 0.907898 0.689876 0.704291 ] [ 0.407898 0.810124 0.295709 ] [ 0.435567 0.055505 0.63356 ] [ 0.935567 0.444495 0.36644 ] [ 0.564433 0.555505 0.86644 ] [ 0.064433 0.944495 0.13356 ] [ 0.137803 0.491177 0.952844 ] [ 0.637803 0.008823 0.047156 ] [ 0.862197 0.991177 0.547156 ] [ 0.362197 0.508823 0.452844 ] [ 0.88886 0.618149 0.870064 ] [ 0.118638 0.428822 0.327738 ] [ 0.881362 0.928822 0.172262 ] [ 0.381362 0.571178 0.827738 ] [ 0.397253 0.786181 0.404073 ] [ 0.897253 0.713819 0.595927 ] [ 0.602747 0.286181 0.095927 ] [ 0.102747 0.213819 0.904073 ] [ 0.11114 0.118149 0.629936 ] [ 0.61114 0.381851 0.370064 ] [ 0.618638 0.071178 0.672262 ] [ 0.38886 0.881851 0.129936 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "H" "H" "H" "H" "Se" "Se" "Se" "Se" "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" 5.11427302 "source-unit" "angstrom" } "b" { "source-value" 6.19819444 "source-unit" "angstrom" } "c" { "source-value" 9.33869387 "source-unit" "angstrom" } }