{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pn2_1a" } "basis-atom-coordinates" { "source-value" [ [ 0.10372 0.735903 0.011255 ] [ 0.836117 0.246893 0.822928 ] [ 0.184882 0.743355 0.842614 ] [ 0.684882 0.243355 0.657386 ] [ 0.336117 0.746893 0.677072 ] [ 0.60372 0.235903 0.488745 ] [ 0.10372 0.764097 0.511255 ] [ 0.836117 0.253107 0.322928 ] [ 0.184882 0.756645 0.342614 ] [ 0.684882 0.256645 0.157386 ] [ 0.336117 0.753107 0.177072 ] [ 0.60372 0.264097 0.988745 ] [ 0.289503 0.006258 0.929846 ] [ 0.649592 0.547955 0.900146 ] [ 0.285238 0.449404 0.764938 ] [ 0.785238 0.949404 0.735062 ] [ 0.149592 0.047955 0.599854 ] [ 0.789503 0.506258 0.570154 ] [ 0.289503 0.493742 0.429846 ] [ 0.649592 0.952045 0.400146 ] [ 0.285238 0.050596 0.264938 ] [ 0.785238 0.550596 0.235062 ] [ 0.149592 0.452045 0.099854 ] [ 0.789503 0.993742 0.070154 ] [ 0.161044 0.411629 0.928485 ] [ 0.786145 0.919524 0.908285 ] [ 0.274275 0.073856 0.759832 ] [ 0.774275 0.573856 0.740168 ] [ 0.286145 0.419524 0.591715 ] [ 0.661044 0.911629 0.571515 ] [ 0.161044 0.088371 0.428485 ] [ 0.786145 0.580476 0.408285 ] [ 0.274275 0.426144 0.259832 ] [ 0.774275 0.926144 0.240168 ] [ 0.286145 0.080476 0.091715 ] [ 0.661044 0.588371 0.071515 ] [ 0.145715 0.504424 0.995717 ] [ 0.745036 0.044344 0.966954 ] [ 0.017086 0.829007 0.920974 ] [ 0.58893 0.793226 0.909727 ] [ 0.301008 0.25284 0.93636 ] [ 0.918913 0.379774 0.899582 ] [ 0.29588 0.519698 0.875142 ] [ 0.794686 0.010981 0.839948 ] [ 0.296318 0.979012 0.826432 ] [ 0.643575 0.46026 0.791682 ] [ 0.009953 0.622113 0.769717 ] [ 0.626225 0.73038 0.732203 ] [ 0.126225 0.23038 0.767797 ] [ 0.509953 0.122113 0.730283 ] [ 0.143575 0.96026 0.708318 ] [ 0.796318 0.479012 0.673568 ] [ 0.294686 0.510981 0.660052 ] [ 0.79588 0.019698 0.624858 ] [ 0.418913 0.879774 0.600418 ] [ 0.801008 0.75284 0.56364 ] [ 0.08893 0.293226 0.590273 ] [ 0.517086 0.329007 0.579026 ] [ 0.245036 0.544344 0.533046 ] [ 0.645715 0.004424 0.504283 ] [ 0.145715 0.995576 0.495717 ] [ 0.745036 0.455656 0.466954 ] [ 0.017086 0.670993 0.420974 ] [ 0.58893 0.706774 0.409727 ] [ 0.301008 0.24716 0.43636 ] [ 0.918913 0.120226 0.399582 ] [ 0.29588 0.980302 0.375142 ] [ 0.794686 0.489019 0.339948 ] [ 0.296318 0.520988 0.326432 ] [ 0.643575 0.03974 0.291682 ] [ 0.009953 0.877887 0.269717 ] [ 0.626225 0.76962 0.232203 ] [ 0.126225 0.26962 0.267797 ] [ 0.509953 0.377887 0.230283 ] [ 0.143575 0.53974 0.208318 ] [ 0.796318 0.020988 0.173568 ] [ 0.294686 0.989019 0.160052 ] [ 0.79588 0.480302 0.124858 ] [ 0.418913 0.620226 0.100418 ] [ 0.801008 0.74716 0.06364 ] [ 0.08893 0.206774 0.090273 ] [ 0.517086 0.170993 0.079026 ] [ 0.245036 0.955656 0.033046 ] [ 0.645715 0.495576 0.004283 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "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" 5.86713045 "source-unit" "angstrom" } "b" { "source-value" 8.23462035 "source-unit" "angstrom" } "c" { "source-value" 19.67569399 "source-unit" "angstrom" } }