{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc" } "basis-atom-coordinates" { "source-value" [ [ 0.997448 0.844666 0.260993 ] [ 0.997448 0.155334 0.760993 ] [ 0.497448 0.344666 0.260993 ] [ 0.497448 0.655334 0.760993 ] [ 0.496127 0.019476 0.770035 ] [ 0.986601 0.973561 0.755952 ] [ 0.483609 0.236855 0.790161 ] [ 0.459849 0.136643 0.302152 ] [ 0.459849 0.863357 0.802152 ] [ 0.496127 0.980524 0.270035 ] [ 0.986601 0.026439 0.255952 ] [ 0.483609 0.763145 0.290161 ] [ 0.996127 0.519476 0.770035 ] [ 0.486601 0.473561 0.755952 ] [ 0.983609 0.736855 0.790161 ] [ 0.959849 0.636643 0.302152 ] [ 0.959849 0.363357 0.802152 ] [ 0.996127 0.480524 0.270035 ] [ 0.486601 0.526439 0.255952 ] [ 0.983609 0.263145 0.290161 ] [ 0.245926 0.073309 0.012141 ] [ 0.281151 0.233942 0.481599 ] [ 0.245926 0.926691 0.512141 ] [ 0.743478 0.070935 0.519655 ] [ 0.281151 0.766058 0.981599 ] [ 0.743478 0.929065 0.019655 ] [ 0.745926 0.573309 0.012141 ] [ 0.781151 0.733942 0.481599 ] [ 0.745926 0.426691 0.512141 ] [ 0.243478 0.570935 0.519655 ] [ 0.781151 0.266058 0.981599 ] [ 0.243478 0.429065 0.019655 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "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" 5.93946693 "source-unit" "angstrom" } "b" { "source-value" 17.9117664 "source-unit" "angstrom" } "c" { "source-value" 5.84049389 "source-unit" "angstrom" } "beta" { "source-value" 92.28672558 "source-unit" "degree" } }