{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.5 ] [ 0.227219 0.396832 0.066111 ] [ 0.5 0.5 0.5 ] [ 0.772781 0.603168 0.933889 ] [ 0.384073 0.950536 0.275586 ] [ 0.882348 0.949458 0.282614 ] [ 0.117652 0.050542 0.717386 ] [ 0.615927 0.049464 0.724414 ] [ 0.076383 0.721406 0.22076 ] [ 0.311018 0.822275 0.668874 ] [ 0.576955 0.718667 0.223736 ] [ 0.810885 0.818089 0.676088 ] [ 0.189115 0.181911 0.323912 ] [ 0.423045 0.281333 0.776264 ] [ 0.688982 0.177725 0.331126 ] [ 0.923617 0.278594 0.77924 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Cu" "Cu" "Cu" "Cu" "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" 5.5201336 "source-unit" "angstrom" } "b" { "source-value" 5.56297238 "source-unit" "angstrom" } "c" { "source-value" 7.155219 "source-unit" "angstrom" } "alpha" { "source-value" 99.11235781 "source-unit" "degree" } "beta" { "source-value" 88.08035676 "source-unit" "degree" } "gamma" { "source-value" 104.58758289 "source-unit" "degree" } }