{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.541161 0.25 0.132919 ] [ 0.547166 0.25 0.634018 ] [ 0.458839 0.75 0.867081 ] [ 0.452834 0.75 0.365982 ] [ 0 0.5 0 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0 0.5 0.5 ] [ 0.047288 0.25 0.492534 ] [ 0.718686 0.037145 0.931761 ] [ 0.717834 0.465042 0.424569 ] [ 0.002349 0.519991 0.250696 ] [ 0.949594 0.75 0.968801 ] [ 0.718686 0.462855 0.931761 ] [ 0.281314 0.962855 0.068239 ] [ 0.050406 0.25 0.031199 ] [ 0.282166 0.534958 0.575431 ] [ 0.282166 0.965042 0.575431 ] [ 0.997651 0.019991 0.749304 ] [ 0.997651 0.480009 0.749304 ] [ 0.002349 0.980009 0.250696 ] [ 0.717834 0.034958 0.424569 ] [ 0.281314 0.537145 0.068239 ] [ 0.952712 0.75 0.507466 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Al" "Al" "Al" "Al" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.53469356158 "source-unit" "angstrom" } "b" { "source-value" 7.3531581 "source-unit" "angstrom" } "c" { "source-value" 7.46867862508 "source-unit" "angstrom" } "beta" { "source-value" 106.963971438 "source-unit" "degree" } }