{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.450563 0.368559 0.77432 ] [ 0.549437 0.631441 0.22568 ] [ 0.950563 0.131441 0.77432 ] [ 0.049437 0.868559 0.22568 ] [ 0.618764 0.586661 0.802911 ] [ 0.098175 0.702878 0.416387 ] [ 0.118764 0.913339 0.802911 ] [ 0.381236 0.413339 0.197089 ] [ 0.881236 0.086661 0.197089 ] [ 0.401825 0.202878 0.583613 ] [ 0.901825 0.297122 0.583613 ] [ 0.598175 0.797122 0.416387 ] [ 0.819225 0.028627 0.786199 ] [ 0.680775 0.528627 0.213801 ] [ 0.319225 0.471373 0.786199 ] [ 0.180775 0.971373 0.213801 ] [ 0.53346 0.174136 0.891621 ] [ 0.96654 0.674136 0.108379 ] [ 0.46654 0.825864 0.108379 ] [ 0.03346 0.325864 0.891621 ] ] } "species" { "source-value" [ "P" "P" "P" "P" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.77851002278 "source-unit" "angstrom" } "b" { "source-value" 5.76086454 "source-unit" "angstrom" } "c" { "source-value" 10.0314477433 "source-unit" "angstrom" } "beta" { "source-value" 116.05978791 "source-unit" "degree" } }