{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.246078 0.487807 0.933318 ] [ 0.987375 0.322795 0.48581 ] [ 0.253922 0.987807 0.566682 ] [ 0.012625 0.677205 0.51419 ] [ 0.487375 0.177205 0.98581 ] [ 0.746078 0.012193 0.433318 ] [ 0.512625 0.822795 0.01419 ] [ 0.753922 0.512193 0.066682 ] [ 0.77363 0.25799 0.785708 ] [ 0.22637 0.74201 0.214292 ] [ 0.72637 0.75799 0.714292 ] [ 0.27363 0.24201 0.285708 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.934276 0.150391 0.156463 ] [ 0.053546 0.129183 0.802501 ] [ 0.553546 0.370817 0.302501 ] [ 0.68682 0.991748 0.798539 ] [ 0.18682 0.508252 0.298539 ] [ 0.434276 0.349609 0.656463 ] [ 0.31318 0.008252 0.201461 ] [ 0.446454 0.629183 0.697499 ] [ 0.065724 0.849609 0.843537 ] [ 0.565724 0.650391 0.343537 ] [ 0.81318 0.491748 0.701461 ] [ 0.946454 0.870817 0.197499 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Na" "Na" "Na" "Na" "Te" "Te" "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" 6.76621732994 "source-unit" "angstrom" } "b" { "source-value" 10.06244559 "source-unit" "angstrom" } "c" { "source-value" 6.77673788383 "source-unit" "angstrom" } "beta" { "source-value" 114.38485761 "source-unit" "degree" } }