{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0.686477 0.130721 0.430706 ] [ 0.313523 0.130721 0.569294 ] [ 0.007674 0.99739 0.237162 ] [ 0.992326 0.99739 0.762838 ] [ 0.186477 0.630721 0.430706 ] [ 0.813523 0.630721 0.569294 ] [ 0.507674 0.49739 0.237162 ] [ 0.492326 0.49739 0.762838 ] [ 0.78117 0.01439 0.273422 ] [ 0 0.535222 0.5 ] [ 0.142343 0.153505 0.361486 ] [ 0.891446 0.812824 0.679397 ] [ 0.21883 0.01439 0.726578 ] [ 0 0.015187 0 ] [ 0.108554 0.812824 0.320603 ] [ 0.857657 0.153505 0.638514 ] [ 0.28117 0.51439 0.273422 ] [ 0.5 0.035222 0.5 ] [ 0.642343 0.653505 0.361486 ] [ 0.391446 0.312824 0.679397 ] [ 0.71883 0.51439 0.726578 ] [ 0.5 0.515187 0 ] [ 0.608554 0.312824 0.320603 ] [ 0.357657 0.653505 0.638514 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "O" "O" "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" 6.90212139547 "source-unit" "angstrom" } "b" { "source-value" 7.71489700738 "source-unit" "angstrom" } "c" { "source-value" 6.8073153578 "source-unit" "angstrom" } "beta" { "source-value" 102.550022353 "source-unit" "degree" } }