{ "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" [ [ 0.785679 0.580891 0.253175 ] [ 0.714321 0.080891 0.746825 ] [ 0.214321 0.419109 0.746825 ] [ 0.285679 0.919109 0.253175 ] [ 0.857122 0.727994 0.817513 ] [ 0.642878 0.227994 0.182487 ] [ 0.142878 0.272006 0.182487 ] [ 0.357122 0.772006 0.817513 ] [ 0.153535 0.921502 0.705693 ] [ 0.346465 0.421502 0.294307 ] [ 0.846465 0.078498 0.294307 ] [ 0.653535 0.578498 0.705693 ] [ 0.813015 0.325797 0.006312 ] [ 0.686985 0.825797 0.993688 ] [ 0.186985 0.674203 0.993688 ] [ 0.313015 0.174203 0.006312 ] [ 0.863585 0.824479 0.555799 ] [ 0.636415 0.324479 0.444201 ] [ 0.136415 0.175521 0.444201 ] [ 0.363585 0.675521 0.555799 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Ga" "Ga" "Ga" "Ga" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.91203461706 "source-unit" "angstrom" } "b" { "source-value" 13.29842605 "source-unit" "angstrom" } "c" { "source-value" 7.96936609733 "source-unit" "angstrom" } "beta" { "source-value" 106.526304675 "source-unit" "degree" } }