{ "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" [ [ 0.590861 0.880398 0.912875 ] [ 0.5 0.5 0 ] [ 0.409139 0.119602 0.087125 ] [ 0.500937 0.511968 0.331541 ] [ 0.408799 0.118041 0.420113 ] [ 0.591201 0.881959 0.579887 ] [ 0.499063 0.488032 0.668459 ] [ 0.950668 0.265919 0.86925 ] [ 0.958849 0.270569 0.206734 ] [ 0.959121 0.271088 0.537355 ] [ 0.049332 0.734081 0.13075 ] [ 0.040879 0.728912 0.462645 ] [ 0.041151 0.729431 0.793266 ] [ 0.78583 0.66334 0.908446 ] [ 0.704565 0.181061 0.985406 ] [ 0.796486 0.644927 0.238876 ] [ 0.699674 0.205988 0.317749 ] [ 0.779853 0.661246 0.573308 ] [ 0.702721 0.184707 0.643132 ] [ 0.295435 0.818939 0.014594 ] [ 0.21417 0.33666 0.091554 ] [ 0.297279 0.815293 0.356868 ] [ 0.220147 0.338754 0.426692 ] [ 0.300326 0.794012 0.682251 ] [ 0.203514 0.355073 0.761124 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "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" 5.21292085 "source-unit" "angstrom" } "b" { "source-value" 6.85672228 "source-unit" "angstrom" } "c" { "source-value" 8.25649875 "source-unit" "angstrom" } "alpha" { "source-value" 101.46287259 "source-unit" "degree" } "beta" { "source-value" 105.41652744 "source-unit" "degree" } "gamma" { "source-value" 99.8004903 "source-unit" "degree" } }