{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.666447 0.356192 0.157246 ] [ 0.679469 0.979258 0.376925 ] [ 0.006415 0.68489 0.12307 ] [ 0.000939 0.328246 0.880003 ] [ 0.325845 0.003877 0.630953 ] [ 0.337925 0.004968 0.128217 ] [ 0.010484 0.328716 0.374332 ] [ 0.999161 0.659947 0.628781 ] [ 0.663794 0.996493 0.877516 ] [ 0.271495 0.12073 0.433379 ] [ 0.08938 0.256879 0.081424 ] [ 0.575637 0.032951 0.17527 ] [ 0.98447 0.592142 0.333035 ] [ 0.697939 0.235206 0.884761 ] [ 0.788136 0.27043 0.351492 ] [ 0.232278 0.704267 0.634292 ] [ 0.351143 0.741703 0.12964 ] [ 0.008789 0.40296 0.675249 ] [ 0.401735 0.018387 0.829973 ] [ 0.880891 0.727347 0.921339 ] [ 0.732614 0.875736 0.575259 ] ] } "species" { "source-value" [ "Li" "Fe" "Fe" "Fe" "Fe" "B" "B" "B" "B" "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" 5.23037034 "source-unit" "angstrom" } "b" { "source-value" 5.27212214 "source-unit" "angstrom" } "c" { "source-value" 10.09707178 "source-unit" "angstrom" } "alpha" { "source-value" 88.99356647 "source-unit" "degree" } "beta" { "source-value" 89.12117511 "source-unit" "degree" } "gamma" { "source-value" 60.78873115 "source-unit" "degree" } }