{ "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" [ [ 0.693282 0.887226 0.56563 ] [ 0.193282 0.612774 0.06563 ] [ 0.306718 0.112774 0.43437 ] [ 0.806718 0.387226 0.93437 ] [ 0.633904 0.978613 0.201438 ] [ 0.866096 0.478613 0.298562 ] [ 0.366096 0.021387 0.798562 ] [ 0.133904 0.521387 0.701438 ] [ 0.685972 0.788017 0.879339 ] [ 0.314028 0.211983 0.120661 ] [ 0.814028 0.288017 0.620661 ] [ 0.185972 0.711983 0.379339 ] [ 0.030576 0.879391 0.373092 ] [ 0.469424 0.379391 0.126908 ] [ 0.969424 0.120609 0.626908 ] [ 0.530576 0.620609 0.873092 ] [ 0.830731 0.803403 0.024609 ] [ 0.669269 0.303403 0.475391 ] [ 0.169269 0.196597 0.975391 ] [ 0.922978 0.775764 0.783171 ] [ 0.422978 0.724236 0.283171 ] [ 0.077022 0.224236 0.216829 ] [ 0.577022 0.275764 0.716829 ] [ 0.330731 0.696597 0.524609 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "S" "S" "S" "S" "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" 4.71789741534 "source-unit" "angstrom" } "b" { "source-value" 8.11016018 "source-unit" "angstrom" } "c" { "source-value" 9.79091950169 "source-unit" "angstrom" } "beta" { "source-value" 94.8468107967 "source-unit" "degree" } }