{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0.766742 0.277862 0.292674 ] [ 0.347193 0.0195 0.446363 ] [ 0.087907 0.468935 0.183626 ] [ 0.150312 0.26424 0.682493 ] [ 0.652807 0.9805 0.553637 ] [ 0.268302 0.280458 0.013891 ] [ 0.233258 0.722138 0.707326 ] [ 0.912093 0.531065 0.816374 ] [ 0.747174 0.193883 0.055421 ] [ 0.459472 0.131997 0.70472 ] [ 0.540528 0.868003 0.29528 ] [ 0.252826 0.806117 0.944579 ] [ 0.731698 0.719542 0.986109 ] [ 0.849688 0.73576 0.317507 ] [ 0.747907 0.183106 0.571005 ] [ 0.758795 0.92695 0.061741 ] [ 0.503142 0.782925 0.574329 ] [ 0.856782 0.608769 0.563553 ] [ 0.152089 0.183774 0.293515 ] [ 0.516434 0.277244 0.822909 ] [ 0.208634 0.000604 0.692095 ] [ 0.847911 0.816226 0.706485 ] [ 0.143218 0.391231 0.436447 ] [ 0.324216 0.539494 0.97528 ] [ 0.896444 0.273733 0.806213 ] [ 0.241205 0.07305 0.938259 ] [ 0.193151 0.462245 0.748291 ] [ 0.474432 0.13717 0.162137 ] [ 0.987717 0.3296 0.061308 ] [ 0.012283 0.6704 0.938692 ] [ 0.525568 0.86283 0.837863 ] [ 0.252093 0.816894 0.428995 ] [ 0.806849 0.537755 0.251709 ] [ 0.103556 0.726267 0.193787 ] [ 0.675784 0.460506 0.02472 ] [ 0.791366 0.999396 0.307905 ] [ 0.483566 0.722756 0.177091 ] [ 0.496858 0.217075 0.425671 ] ] } "species" { "source-value" [ "K" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.96566783 "source-unit" "angstrom" } "b" { "source-value" 9.48278836 "source-unit" "angstrom" } "c" { "source-value" 9.77957399 "source-unit" "angstrom" } "alpha" { "source-value" 61.0865258 "source-unit" "degree" } "beta" { "source-value" 74.17119267 "source-unit" "degree" } "gamma" { "source-value" 81.12169906 "source-unit" "degree" } }