{ "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" [ [ 0.281817 0.826904 0.89117 ] [ 0.718183 0.326904 0.60883 ] [ 0.218183 0.173096 0.39117 ] [ 0.781817 0.673096 0.10883 ] [ 0.727585 0.954559 0.874547 ] [ 0.272415 0.454559 0.625453 ] [ 0.772415 0.045441 0.374547 ] [ 0.227585 0.545441 0.125453 ] [ 0.813515 0.445611 0.879016 ] [ 0.186485 0.945611 0.620984 ] [ 0.686485 0.554389 0.379016 ] [ 0.313515 0.054389 0.120984 ] [ 0.570797 0.077907 0.782412 ] [ 0.429203 0.577907 0.717588 ] [ 0.929203 0.922093 0.282412 ] [ 0.070797 0.422093 0.217588 ] [ 0.84605 0.092132 0.970105 ] [ 0.15395 0.592132 0.529895 ] [ 0.65395 0.907868 0.470105 ] [ 0.34605 0.407868 0.029895 ] [ 0.988917 0.826071 0.831964 ] [ 0.011083 0.326071 0.668036 ] [ 0.511083 0.173929 0.331964 ] [ 0.488917 0.673929 0.168036 ] [ 0.473959 0.815902 0.931184 ] [ 0.526041 0.315902 0.568816 ] [ 0.026041 0.184098 0.431184 ] [ 0.973959 0.684098 0.068816 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "Se" "Se" "Se" "Se" "N" "N" "N" "N" "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" 4.65636763 "source-unit" "angstrom" } "b" { "source-value" 7.58320673 "source-unit" "angstrom" } "c" { "source-value" 12.62774849 "source-unit" "angstrom" } }