{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.987617 0.482481 0.984205 ] [ 0.504015 0.198728 0.829537 ] [ 0.532246 0.473641 0.519335 ] [ 0.467754 0.973641 0.480665 ] [ 0.495985 0.698728 0.170463 ] [ 0.012383 0.982481 0.015795 ] [ 0.975041 0.762248 0.690941 ] [ 0.024959 0.262248 0.309059 ] [ 0.996921 0.235372 0.663255 ] [ 0.003079 0.735372 0.336745 ] [ 0.485561 0.746165 0.852711 ] [ 0.514439 0.246165 0.147289 ] [ 0.287494 0.72598 0.93311 ] [ 0.70608 0.76778 0.913474 ] [ 0.083321 0.085025 0.779913 ] [ 0.938838 0.433782 0.736542 ] [ 0.465689 0.746392 0.711597 ] [ 0.754103 0.162713 0.588135 ] [ 0.206213 0.254292 0.547359 ] [ 0.793787 0.754292 0.452641 ] [ 0.245897 0.662713 0.411865 ] [ 0.534311 0.246392 0.288403 ] [ 0.061162 0.933782 0.263458 ] [ 0.916679 0.585025 0.220087 ] [ 0.29392 0.26778 0.086526 ] [ 0.712506 0.22598 0.06689 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Ca" "Ca" "P" "P" "C" "C" "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" 5.33289572 "source-unit" "angstrom" } "b" { "source-value" 6.88654944 "source-unit" "angstrom" } "c" { "source-value" 9.19613436 "source-unit" "angstrom" } "beta" { "source-value" 90.40088183 "source-unit" "degree" } }