{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.184381 0.284477 0.44658 ] [ 0.821684 0.78607 0.965319 ] [ 0.184381 0.715523 0.44658 ] [ 0.821684 0.21393 0.965319 ] [ 0.684381 0.784477 0.44658 ] [ 0.321684 0.28607 0.965319 ] [ 0.684381 0.215523 0.44658 ] [ 0.321684 0.71393 0.965319 ] [ 0.015005 0 0.536484 ] [ 0.515005 0.5 0.536484 ] [ 0.007289 0.84678 0.685341 ] [ 0.821376 0 0.287787 ] [ 0.177144 0 0.442809 ] [ 0.007289 0.15322 0.685341 ] [ 0.507289 0.34678 0.685341 ] [ 0.321376 0.5 0.287787 ] [ 0.677144 0.5 0.442809 ] [ 0.507289 0.65322 0.685341 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "C" "C" "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" 6.9451106502 "source-unit" "angstrom" } "b" { "source-value" 7.63200975976 "source-unit" "angstrom" } "c" { "source-value" 5.35388904393 "source-unit" "angstrom" } "beta" { "source-value" 108.379254202 "source-unit" "degree" } }