{ "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" [ [ 0.246499 0.010917 0.249637 ] [ 0.253501 0.510917 0.250363 ] [ 0.728796 0.470676 0.087973 ] [ 0.771204 0.970676 0.412027 ] [ 0.726733 0.533766 0.43235 ] [ 0.273267 0.466234 0.56765 ] [ 0.746499 0.489083 0.749637 ] [ 0.773267 0.033766 0.06765 ] [ 0.226733 0.966234 0.93235 ] [ 0.271204 0.529324 0.912027 ] [ 0.753501 0.989083 0.750363 ] [ 0.228796 0.029324 0.587973 ] [ 0.919947 0.789385 0.238658 ] [ 0.068486 0.296273 0.407435 ] [ 0.580053 0.289385 0.261342 ] [ 0.080053 0.210615 0.761342 ] [ 0.894148 0.702876 0.919085 ] [ 0.419947 0.710615 0.738658 ] [ 0.568486 0.203727 0.907435 ] [ 0.105852 0.297124 0.080915 ] [ 0.394148 0.797124 0.419085 ] [ 0.931514 0.703727 0.592565 ] [ 0.605852 0.202876 0.580915 ] [ 0.431514 0.796273 0.092565 ] [ 0.89987 0.327585 0.918339 ] [ 0.078828 0.829935 0.760392 ] [ 0.60013 0.827585 0.581661 ] [ 0.06798 0.673051 0.409646 ] [ 0.39987 0.172415 0.418339 ] [ 0.578828 0.670065 0.260392 ] [ 0.10013 0.672415 0.081661 ] [ 0.921172 0.170065 0.239608 ] [ 0.56798 0.826949 0.909646 ] [ 0.43202 0.173051 0.090354 ] [ 0.421172 0.329935 0.739608 ] [ 0.93202 0.326949 0.590354 ] [ 0.550551 0.6713 0.156799 ] [ 0.26427 0.276346 0.377276 ] [ 0.741458 0.743682 0.286559 ] [ 0.548882 0.251541 0.020412 ] [ 0.572794 0.489709 0.296653 ] [ 0.449449 0.3287 0.843201 ] [ 0.51273 0.005109 0.888298 ] [ 0.048882 0.248459 0.520412 ] [ 0.98727 0.505109 0.611702 ] [ 0.456263 0.832776 0.6463 ] [ 0.165883 0.495943 0.066923 ] [ 0.834117 0.504057 0.933077 ] [ 0.427206 0.510291 0.703347 ] [ 0.01273 0.494891 0.388298 ] [ 0.052643 0.747117 0.987919 ] [ 0.23573 0.776346 0.122724 ] [ 0.334117 0.995943 0.433077 ] [ 0.261299 0.172045 0.051652 ] [ 0.76427 0.223654 0.877276 ] [ 0.447357 0.247117 0.512081 ] [ 0.48727 0.994891 0.111702 ] [ 0.936315 0.228664 0.679434 ] [ 0.238701 0.672045 0.448348 ] [ 0.949449 0.1713 0.343201 ] [ 0.758542 0.243682 0.213441 ] [ 0.665883 0.004057 0.566923 ] [ 0.241458 0.756318 0.786559 ] [ 0.555045 0.233079 0.692013 ] [ 0.944955 0.733079 0.807987 ] [ 0.063685 0.771336 0.320566 ] [ 0.927206 0.989709 0.203347 ] [ 0.072794 0.010291 0.796653 ] [ 0.73573 0.723654 0.622724 ] [ 0.043737 0.332776 0.8537 ] [ 0.563685 0.728664 0.820566 ] [ 0.761299 0.327955 0.551652 ] [ 0.552643 0.752883 0.487919 ] [ 0.451118 0.748459 0.979588 ] [ 0.543737 0.167224 0.3537 ] [ 0.436315 0.271336 0.179434 ] [ 0.947357 0.252883 0.012081 ] [ 0.258542 0.256318 0.713441 ] [ 0.050551 0.8287 0.656799 ] [ 0.951118 0.751541 0.479588 ] [ 0.956263 0.667224 0.1463 ] [ 0.444955 0.766921 0.307987 ] [ 0.055045 0.266921 0.192013 ] [ 0.738701 0.827955 0.948348 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "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" "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" 8.08283227023 "source-unit" "angstrom" } "b" { "source-value" 7.79146881 "source-unit" "angstrom" } "c" { "source-value" 14.1255187747 "source-unit" "angstrom" } "beta" { "source-value" 90.0758513821 "source-unit" "degree" } }