{ "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" [ [ 0.080623 0.5 0.405232 ] [ 0.832189 0.5 0.009805 ] [ 0.167811 0.5 0.990195 ] [ 0.919377 0.5 0.594768 ] [ 0.580623 0 0.405232 ] [ 0.332189 0 0.009805 ] [ 0.667811 0 0.990195 ] [ 0.419377 0 0.594768 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.050928 0 0.757454 ] [ 0.949072 0 0.242546 ] [ 0.211637 0 0.288212 ] [ 0.788363 0 0.711788 ] [ 0.190977 0 0.655339 ] [ 0.809023 0 0.344661 ] [ 0.550928 0.5 0.757454 ] [ 0.449072 0.5 0.242546 ] [ 0.711637 0.5 0.288212 ] [ 0.288363 0.5 0.711788 ] [ 0.690977 0.5 0.655339 ] [ 0.309023 0.5 0.344661 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Al" "Al" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 16.3587794735 "source-unit" "angstrom" } "b" { "source-value" 3.67049312972 "source-unit" "angstrom" } "c" { "source-value" 6.7364794659 "source-unit" "angstrom" } "beta" { "source-value" 92.3053301106 "source-unit" "degree" } }