{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.67941 0.5 ] [ 0.75 0.32059 0.5 ] [ 0.25 0.678086 0 ] [ 0.75 0.321914 0 ] [ 0.250892 0.170982 0.243935 ] [ 0.249108 0.170982 0.756065 ] [ 0.749108 0.829018 0.756065 ] [ 0.750892 0.829018 0.243935 ] [ 0.604357 0.627111 0.115848 ] [ 0.895643 0.627111 0.884152 ] [ 0.395643 0.372889 0.884152 ] [ 0.104357 0.372889 0.115848 ] [ 0.876002 0.632494 0.359295 ] [ 0.623998 0.632494 0.640705 ] [ 0.123998 0.367506 0.640705 ] [ 0.376002 0.367506 0.359295 ] [ 0.55681 0.107596 0.133862 ] [ 0.94319 0.107596 0.866138 ] [ 0.44319 0.892404 0.866138 ] [ 0.05681 0.892404 0.133862 ] [ 0.440837 0.905479 0.333887 ] [ 0.559163 0.094521 0.666113 ] [ 0.059163 0.905479 0.666113 ] [ 0.940837 0.094521 0.333887 ] ] } "species" { "source-value" [ "Na" "Na" "In" "In" "W" "W" "W" "W" "O" "O" "O" "O" "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" 5.1725976564 "source-unit" "angstrom" } "b" { "source-value" 5.92863559 "source-unit" "angstrom" } "c" { "source-value" 10.2236102604 "source-unit" "angstrom" } "beta" { "source-value" 91.5611727342 "source-unit" "degree" } }