{ "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" [ [ 0.228756 0.722282 0.468861 ] [ 0.771244 0.277718 0.531139 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.717841 0.726483 0.071533 ] [ 0.282159 0.273517 0.928467 ] [ 0.373194 0.378606 0.662546 ] [ 0.688891 0.313238 0.994326 ] [ 0.626806 0.621394 0.337455 ] [ 0.311109 0.686762 0.005674 ] [ 0.70313 0.692164 0.546579 ] [ 0.14438 0.128922 0.880067 ] [ 0.191969 0.80402 0.007459 ] [ 0.808031 0.19598 0.992541 ] [ 0.85562 0.871078 0.119933 ] [ 0.29687 0.307836 0.453421 ] ] } "species" { "source-value" [ "K" "K" "Fe" "Cu" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.96339079156 "source-unit" "angstrom" } "b" { "source-value" 7.02669968015 "source-unit" "angstrom" } "c" { "source-value" 7.30500932616 "source-unit" "angstrom" } "alpha" { "source-value" 118.288595115 "source-unit" "degree" } "beta" { "source-value" 117.091275951 "source-unit" "degree" } "gamma" { "source-value" 90.8303355107 "source-unit" "degree" } }