{ "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" [ [ 0.589445 0.796912 0.744213 ] [ 0.5 0.5 0.5 ] [ 0.410555 0.203088 0.255787 ] [ 0.052847 0.771626 0.750001 ] [ 0 0.5 0.5 ] [ 0.947153 0.228375 0.249999 ] [ 0.756157 0.838771 0.28347 ] [ 0.313726 0.835172 0.253545 ] [ 0.795926 0.394232 0.975005 ] [ 0.204074 0.605768 0.024995 ] [ 0.686274 0.164828 0.746455 ] [ 0.243843 0.161229 0.71653 ] [ 0.79685 0.950928 0.758135 ] [ 0.24998 0.947724 0.68659 ] [ 0.548881 0.836425 0.242087 ] [ 0.97487 0.763349 0.063471 ] [ 0.7572 0.689021 0.470041 ] [ 0.86096 0.565638 0.797963 ] [ 0.173854 0.704425 0.457347 ] [ 0.289528 0.571224 0.788263 ] [ 0.368139 0.718204 0.052715 ] [ 0.631861 0.281796 0.947285 ] [ 0.710472 0.428776 0.211737 ] [ 0.826146 0.295575 0.542653 ] [ 0.13904 0.434362 0.202037 ] [ 0.2428 0.310979 0.529959 ] [ 0.02513 0.236651 0.936529 ] [ 0.451119 0.163575 0.757913 ] [ 0.75002 0.052276 0.31341 ] [ 0.20315 0.049072 0.241865 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Cr" "Cr" "Cr" "Si" "Si" "Si" "Si" "Si" "Si" "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" 7.01913447 "source-unit" "angstrom" } "b" { "source-value" 7.33771376 "source-unit" "angstrom" } "c" { "source-value" 7.40705979 "source-unit" "angstrom" } "alpha" { "source-value" 80.92589682 "source-unit" "degree" } "beta" { "source-value" 61.83800263 "source-unit" "degree" } "gamma" { "source-value" 77.29038571 "source-unit" "degree" } }