{ "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" [ [ 0.999822 0.99974 0.248499 ] [ 0.499822 0.50026 0.748499 ] [ 0.254018 0.24439 0.012232 ] [ 0.254018 0.75561 0.512232 ] [ 0.499822 0.49974 0.248499 ] [ 0.999822 0.00026 0.748499 ] [ 0.754018 0.74439 0.012232 ] [ 0.754018 0.25561 0.512232 ] [ 0.770562 0.230203 0.995214 ] [ 0.270562 0.269797 0.495214 ] [ 0.270562 0.730203 0.995214 ] [ 0.770562 0.769797 0.495214 ] [ 0.497703 0.001942 0.25265 ] [ 0.997703 0.498058 0.75265 ] [ 0.997703 0.501942 0.25265 ] [ 0.497703 0.998058 0.75265 ] [ 0.491205 0.507251 0.997935 ] [ 0.491205 0.492749 0.497935 ] [ 0.743249 0.251502 0.213302 ] [ 0.242374 0.246613 0.281011 ] [ 0.742374 0.253387 0.781011 ] [ 0.243249 0.248498 0.713302 ] [ 0.99944 0.498673 0.99931 ] [ 0.49944 0.001327 0.49931 ] [ 0.991205 0.007251 0.997935 ] [ 0.991205 0.992749 0.497935 ] [ 0.243249 0.751502 0.213302 ] [ 0.742374 0.746613 0.281011 ] [ 0.242374 0.753387 0.781011 ] [ 0.743249 0.748498 0.713302 ] [ 0.49944 0.998673 0.99931 ] [ 0.99944 0.501327 0.49931 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "Ti" "Fe" "Fe" "Fe" "Fe" "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" 5.85991026 "source-unit" "angstrom" } "b" { "source-value" 5.85019497 "source-unit" "angstrom" } "c" { "source-value" 8.96727156 "source-unit" "angstrom" } "beta" { "source-value" 90.04909631 "source-unit" "degree" } }