{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.168936 0.5 ] [ 0.5 0.169344 0 ] [ 0 0.668936 0.5 ] [ 0 0.669344 0 ] [ 0.5 0.842577 0.5 ] [ 0 0.342577 0.5 ] [ 0.000981 0.001824 0.666577 ] [ 0.999019 0.001824 0.333423 ] [ 0.500981 0.501824 0.666577 ] [ 0.499019 0.501824 0.333423 ] [ 0.332045 0.994111 0.739896 ] [ 0.667955 0.994111 0.260104 ] [ 0.82714 0.840044 0.73684 ] [ 0.17286 0.840044 0.26316 ] [ 0.157446 0.169615 0.259425 ] [ 0.842554 0.169615 0.740575 ] [ 0.832045 0.494111 0.739896 ] [ 0.167955 0.494111 0.260104 ] [ 0.32714 0.340044 0.73684 ] [ 0.67286 0.340044 0.26316 ] [ 0.657446 0.669615 0.259425 ] [ 0.342554 0.669615 0.740575 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "P" "P" "P" "P" "S" "S" "S" "S" "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" 6.02196651 "source-unit" "angstrom" } "b" { "source-value" 10.43577076 "source-unit" "angstrom" } "c" { "source-value" 6.67517991 "source-unit" "angstrom" } "beta" { "source-value" 90.3057675 "source-unit" "degree" } }