{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc2_1n" } "basis-atom-coordinates" { "source-value" [ [ 0.302497 0.450079 0.91418 ] [ 0.688888 0.203196 0.825255 ] [ 0.188888 0.703196 0.674745 ] [ 0.802497 0.950079 0.58582 ] [ 0.197503 0.450079 0.41418 ] [ 0.811112 0.203196 0.325255 ] [ 0.311112 0.703196 0.174745 ] [ 0.697503 0.950079 0.08582 ] [ 0.182262 0.96834 0.914272 ] [ 0.317738 0.96834 0.414272 ] [ 0.682262 0.46834 0.585728 ] [ 0.817738 0.46834 0.085728 ] [ 0.67809 0.711125 0.836919 ] [ 0.17809 0.211125 0.663081 ] [ 0.82191 0.711125 0.336919 ] [ 0.32191 0.211125 0.163081 ] [ 0.743518 0.486053 0.908087 ] [ 0.786099 0.923195 0.910915 ] [ 0.359412 0.720404 0.83326 ] [ 0.296523 0.207714 0.802813 ] [ 0.796523 0.707714 0.697187 ] [ 0.859412 0.220404 0.66674 ] [ 0.286099 0.423195 0.589085 ] [ 0.243518 0.986053 0.591913 ] [ 0.756482 0.486053 0.408087 ] [ 0.713901 0.923195 0.410915 ] [ 0.140588 0.720404 0.33326 ] [ 0.203477 0.207714 0.302813 ] [ 0.703477 0.707714 0.197187 ] [ 0.640588 0.220404 0.16674 ] [ 0.213901 0.423195 0.089085 ] [ 0.256482 0.986053 0.091913 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "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" 5.18325792 "source-unit" "angstrom" } "b" { "source-value" 6.31091449 "source-unit" "angstrom" } "c" { "source-value" 11.00513202 "source-unit" "angstrom" } }