{ "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" [ [ 0.502735 0.702545 0.831816 ] [ 0.988995 0.98208 0.98366 ] [ 0.497265 0.202545 0.168184 ] [ 0.523604 0.977091 0.51989 ] [ 0.476396 0.477091 0.48011 ] [ 0.011005 0.48208 0.01634 ] [ 0.017778 0.763403 0.314944 ] [ 0.982222 0.263403 0.685056 ] [ 0.998525 0.233475 0.329916 ] [ 0.001475 0.733475 0.670084 ] [ 0.512176 0.745954 0.144394 ] [ 0.487824 0.245954 0.855606 ] [ 0.925649 0.9246 0.739848 ] [ 0.778043 0.255741 0.436373 ] [ 0.712735 0.724841 0.068438 ] [ 0.773604 0.656572 0.585579 ] [ 0.074351 0.4246 0.260152 ] [ 0.917428 0.090627 0.21136 ] [ 0.524354 0.745569 0.285168 ] [ 0.701753 0.268501 0.919537 ] [ 0.287265 0.224841 0.931562 ] [ 0.298247 0.768501 0.080463 ] [ 0.475646 0.245569 0.714832 ] [ 0.226396 0.156572 0.414421 ] [ 0.082572 0.590627 0.78864 ] [ 0.221957 0.755741 0.563627 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Sr" "Sr" "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" 5.38308612141 "source-unit" "angstrom" } "b" { "source-value" 7.08961512 "source-unit" "angstrom" } "c" { "source-value" 9.28360967393 "source-unit" "angstrom" } "beta" { "source-value" 90.2649659469 "source-unit" "degree" } }