{ "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" [ [ 0.955971 0.890203 0.315268 ] [ 0.567018 0.251946 0.400699 ] [ 0.643989 0.737067 0.803275 ] [ 0.356011 0.262933 0.196725 ] [ 0.432982 0.751946 0.099301 ] [ 0.643989 0.762933 0.303275 ] [ 0.356011 0.237067 0.696725 ] [ 0.955971 0.609797 0.815268 ] [ 0.870529 0.245874 0.465477 ] [ 0.044029 0.109797 0.684732 ] [ 0.567018 0.248054 0.900699 ] [ 0.044029 0.390203 0.184732 ] [ 0.432982 0.748054 0.599301 ] [ 0.870529 0.254126 0.965477 ] [ 0.129471 0.745874 0.034523 ] [ 0.129471 0.754126 0.534523 ] [ 0.709334 0.275777 0.183236 ] [ 0.290666 0.724223 0.816764 ] [ 0.290666 0.775777 0.316764 ] [ 0.777223 0.723983 0.577265 ] [ 0.222777 0.276017 0.422735 ] [ 0.222777 0.223983 0.922735 ] [ 0.777223 0.776017 0.077265 ] [ 0.709334 0.224223 0.683236 ] [ 0.815761 0.90548 0.712975 ] [ 0.764674 0.362956 0.809063 ] [ 0.861516 0.403307 0.643861 ] [ 0.322319 0.547745 0.95164 ] [ 0.931181 0.649017 0.058002 ] [ 0.677681 0.047745 0.54836 ] [ 0.55854 0.416105 0.203813 ] [ 0.279671 0.083626 0.046854 ] [ 0.861516 0.096693 0.143861 ] [ 0.235326 0.862956 0.690937 ] [ 0.720329 0.916374 0.953146 ] [ 0.677681 0.452255 0.04836 ] [ 0.815761 0.59452 0.212975 ] [ 0.235326 0.637044 0.190937 ] [ 0.369459 0.452526 0.378017 ] [ 0.279671 0.416374 0.546854 ] [ 0.184239 0.40548 0.787025 ] [ 0.322319 0.952255 0.45164 ] [ 0.068819 0.149017 0.441998 ] [ 0.630541 0.952526 0.121983 ] [ 0.44146 0.583895 0.796187 ] [ 0.184239 0.09452 0.287025 ] [ 0.720329 0.583626 0.453146 ] [ 0.138484 0.903307 0.856139 ] [ 0.44146 0.916105 0.296187 ] [ 0.931181 0.850983 0.558002 ] [ 0.138484 0.596693 0.356139 ] [ 0.068819 0.350983 0.941998 ] [ 0.630541 0.547474 0.621983 ] [ 0.369459 0.047474 0.878017 ] [ 0.55854 0.083895 0.703813 ] [ 0.764674 0.137044 0.309063 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 10.7947647801 "source-unit" "angstrom" } "b" { "source-value" 5.25066855 "source-unit" "angstrom" } "c" { "source-value" 14.0721840699 "source-unit" "angstrom" } "beta" { "source-value" 103.490729874 "source-unit" "degree" } }