{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.480489 0.25 0.837046 ] [ 0.519511 0.75 0.162954 ] [ 0.796589 0.25 0.460672 ] [ 0.203411 0.75 0.539328 ] [ 0.732481 0.75 0.720092 ] [ 0.267519 0.25 0.279908 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.304218 0.25 0.491052 ] [ 0.695782 0.75 0.508948 ] [ 0.521228 0.25 0.176391 ] [ 0.478772 0.75 0.823609 ] [ 0.098351 0.500918 0.236384 ] [ 0.901649 0.000918 0.763616 ] [ 0.098351 0.999082 0.236384 ] [ 0.901649 0.499082 0.763616 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "P" "P" "Au" "Au" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.74274694 "source-unit" "angstrom" } "b" { "source-value" 6.88299779 "source-unit" "angstrom" } "c" { "source-value" 9.5843433 "source-unit" "angstrom" } "beta" { "source-value" 93.18310093 "source-unit" "degree" } }