{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.787117 0.885688 0.269393 ] [ 0.212883 0.114312 0.730607 ] [ 0 0 0 ] [ 0.317846 0.332357 0.788777 ] [ 0.910331 0.113706 0.301057 ] [ 0.089669 0.886294 0.698943 ] [ 0.682154 0.667643 0.211223 ] [ 0.892529 0.256258 0.963908 ] [ 0.445031 0.944962 0.81857 ] [ 0.960662 0.267502 0.663124 ] [ 0.039338 0.732498 0.336876 ] [ 0.554969 0.055038 0.18143 ] [ 0.361072 0.199145 0.54922 ] [ 0.107471 0.743742 0.036092 ] [ 0.638928 0.800855 0.45078 ] [ 0.018543 0.755372 0.677676 ] [ 0.45408 0.251877 0.441505 ] [ 0.171475 0.586741 0.059966 ] [ 0.378895 0.458355 0.820825 ] [ 0.18576 0.645151 0.378016 ] [ 0.981457 0.244628 0.322324 ] [ 0.828525 0.413259 0.940034 ] [ 0.621105 0.541645 0.179175 ] [ 0.58133 0.848615 0.868347 ] [ 0.41867 0.151385 0.131653 ] [ 0.54592 0.748123 0.558495 ] [ 0.81424 0.354849 0.621984 ] ] } "species" { "source-value" [ "Re" "Re" "Pt" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "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" 6.5397237264 "source-unit" "angstrom" } "b" { "source-value" 7.2716821515 "source-unit" "angstrom" } "c" { "source-value" 10.1725681064 "source-unit" "angstrom" } "alpha" { "source-value" 71.5393837914 "source-unit" "degree" } "beta" { "source-value" 85.4063607871 "source-unit" "degree" } "gamma" { "source-value" 88.0600526392 "source-unit" "degree" } }