{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.638464 0.99828 0.337153 ] [ 0.138464 0.00172 0.837153 ] [ 0.49929 0.597363 0.496432 ] [ 0.99929 0.402637 0.996432 ] [ 0.707792 0.399213 0.602335 ] [ 0.220949 0.398097 0.463787 ] [ 0.897111 0.17961 0.0992 ] [ 0.397111 0.82039 0.5992 ] [ 0.829599 0.121174 0.83697 ] [ 0.720949 0.601903 0.963787 ] [ 0.329973 0.128905 0.970076 ] [ 0.829973 0.871095 0.470076 ] [ 0.156933 0.663236 0.833982 ] [ 0.656933 0.336764 0.333982 ] [ 0.234688 0.12967 0.710167 ] [ 0.734688 0.87033 0.210167 ] [ 0.207792 0.600787 0.102335 ] [ 0.329599 0.878826 0.33697 ] ] } "species" { "source-value" [ "Al" "Al" "Se" "Se" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.12416582136 "source-unit" "angstrom" } "b" { "source-value" 6.82140094 "source-unit" "angstrom" } "c" { "source-value" 15.0855873854 "source-unit" "angstrom" } "beta" { "source-value" 101.888147106 "source-unit" "degree" } }