{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.763761 0.242109 0.918378 ] [ 0.251041 0.487732 0.73692 ] [ 0.748959 0.987732 0.26308 ] [ 0.236239 0.742109 0.081622 ] [ 0.783904 0.763554 0.654898 ] [ 0.216096 0.263554 0.345102 ] [ 0.70953 0.253549 0.575583 ] [ 0.29047 0.753549 0.424417 ] [ 0.72991 0.745742 0.935319 ] [ 0.27009 0.245742 0.064681 ] [ 0.297473 0.262926 0.9249 ] [ 0.956494 0.738604 0.872167 ] [ 0.53545 0.738598 0.841932 ] [ 0.760129 0.065807 0.678067 ] [ 0.775326 0.442283 0.673984 ] [ 0.129665 0.742496 0.568256 ] [ 0.421309 0.264134 0.530592 ] [ 0.578691 0.764134 0.469408 ] [ 0.870335 0.242496 0.431744 ] [ 0.239871 0.565807 0.321933 ] [ 0.224674 0.942283 0.326016 ] [ 0.46455 0.238598 0.158068 ] [ 0.043506 0.238604 0.127833 ] [ 0.702527 0.762926 0.0751 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Fe" "Fe" "P" "P" "C" "C" "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" 5.23121062 "source-unit" "angstrom" } "b" { "source-value" 6.53453843 "source-unit" "angstrom" } "c" { "source-value" 8.95150889 "source-unit" "angstrom" } "beta" { "source-value" 90.3951495 "source-unit" "degree" } }