{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.235637 0.499393 0.222287 ] [ 0.235637 0.000607 0.222287 ] [ 0.764363 0.500607 0.777713 ] [ 0.764363 0.999393 0.777713 ] [ 0.782835 0.75 0.357309 ] [ 0.217165 0.25 0.642691 ] [ 0.709296 0.25 0.424325 ] [ 0.290704 0.75 0.575675 ] [ 0.731396 0.75 0.073376 ] [ 0.268604 0.25 0.926624 ] [ 0.299217 0.25 0.064651 ] [ 0.952967 0.75 0.138286 ] [ 0.540247 0.75 0.167008 ] [ 0.791487 0.061923 0.340663 ] [ 0.791487 0.438077 0.340663 ] [ 0.168441 0.75 0.417602 ] [ 0.415885 0.25 0.442587 ] [ 0.584115 0.75 0.557413 ] [ 0.831559 0.25 0.582398 ] [ 0.208513 0.561923 0.659337 ] [ 0.208513 0.938077 0.659337 ] [ 0.459753 0.25 0.832992 ] [ 0.047033 0.25 0.861714 ] [ 0.700783 0.75 0.935349 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Sc" "Sc" "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" 5.30517116 "source-unit" "angstrom" } "b" { "source-value" 6.7477701 "source-unit" "angstrom" } "c" { "source-value" 9.05971497 "source-unit" "angstrom" } "beta" { "source-value" 90.41340423 "source-unit" "degree" } }