{ "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" [ [ 0.315938 0.287166 0.843303 ] [ 0.815938 0.787166 0.656697 ] [ 0.184062 0.287166 0.343303 ] [ 0.684062 0.787166 0.156697 ] [ 0.316889 0.785902 0.840455 ] [ 0.816889 0.285902 0.659545 ] [ 0.183111 0.785902 0.340455 ] [ 0.683111 0.285902 0.159545 ] [ 0.817414 0.036942 0.908118 ] [ 0.317414 0.536942 0.591882 ] [ 0.682586 0.036942 0.408118 ] [ 0.182586 0.536942 0.091882 ] [ 0.257353 0.549796 0.938102 ] [ 0.138812 0.023952 0.886332 ] [ 0.684335 0.83959 0.840258 ] [ 0.705449 0.234827 0.832162 ] [ 0.205449 0.734827 0.667838 ] [ 0.184335 0.33959 0.659742 ] [ 0.638812 0.523952 0.613668 ] [ 0.757353 0.049796 0.561898 ] [ 0.242647 0.549796 0.438102 ] [ 0.361188 0.023952 0.386332 ] [ 0.815665 0.83959 0.340258 ] [ 0.794551 0.234827 0.332162 ] [ 0.294551 0.734827 0.167838 ] [ 0.315665 0.33959 0.159742 ] [ 0.861188 0.523952 0.113668 ] [ 0.742647 0.049796 0.061898 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Si" "Si" "Si" "Si" "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" 5.08696173 "source-unit" "angstrom" } "b" { "source-value" 6.74364039 "source-unit" "angstrom" } "c" { "source-value" 10.37698493 "source-unit" "angstrom" } }