{ "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" [ [ 0.244162 0.75 0.072672 ] [ 0.752139 0.0004 0.243239 ] [ 0.752139 0.4996 0.243239 ] [ 0.247861 0.5004 0.756761 ] [ 0.247861 0.9996 0.756761 ] [ 0.755838 0.25 0.927328 ] [ 0.221279 0.25 0.330146 ] [ 0.778721 0.75 0.669854 ] [ 0.265509 0.25 0.062373 ] [ 0.734491 0.75 0.937627 ] [ 0.292721 0.75 0.423305 ] [ 0.707279 0.25 0.576695 ] [ 0.702275 0.75 0.084358 ] [ 0.030081 0.25 0.131033 ] [ 0.467247 0.25 0.166435 ] [ 0.218279 0.945772 0.312453 ] [ 0.218279 0.554228 0.312453 ] [ 0.615272 0.75 0.463209 ] [ 0.860177 0.25 0.412804 ] [ 0.139823 0.75 0.587196 ] [ 0.384728 0.25 0.536791 ] [ 0.781721 0.445772 0.687547 ] [ 0.781721 0.054228 0.687547 ] [ 0.532753 0.75 0.833565 ] [ 0.969919 0.75 0.868967 ] [ 0.297725 0.25 0.915642 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Fe" "Fe" "B" "B" "As" "As" "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" 5.29728572 "source-unit" "angstrom" } "b" { "source-value" 6.86773638 "source-unit" "angstrom" } "c" { "source-value" 9.11541434 "source-unit" "angstrom" } "beta" { "source-value" 91.11438722 "source-unit" "degree" } }