{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.899218 0.5 0.079094 ] [ 0.024897 0.5 0.378665 ] [ 0.757316 0.5 0.773642 ] [ 0.975103 0.5 0.621335 ] [ 0.100782 0.5 0.920906 ] [ 0.242684 0.5 0.226358 ] [ 0.399218 0 0.079094 ] [ 0.524897 0 0.378665 ] [ 0.257316 0 0.773642 ] [ 0.475103 0 0.621335 ] [ 0.600782 0 0.920906 ] [ 0.742684 0 0.226358 ] [ 0.038662 0 0.236556 ] [ 0.632646 0.5 0.545718 ] [ 0.367354 0.5 0.454282 ] [ 0.882189 0 0.924326 ] [ 0.961338 0 0.763444 ] [ 0.117811 0 0.075674 ] [ 0.538662 0.5 0.236556 ] [ 0.132646 0 0.545718 ] [ 0.867354 0 0.454282 ] [ 0.382189 0.5 0.924326 ] [ 0.461338 0.5 0.763444 ] [ 0.617811 0.5 0.075674 ] [ 0.756609 0 0.595587 ] [ 0.243391 0 0.404413 ] [ 0.256609 0.5 0.595587 ] [ 0.743391 0.5 0.404413 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Ni" "Ni" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.82975238 "source-unit" "angstrom" } "b" { "source-value" 3.98181279 "source-unit" "angstrom" } "c" { "source-value" 12.8105855 "source-unit" "angstrom" } "beta" { "source-value" 110.24241503 "source-unit" "degree" } }