{ "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" [ [ 0.073059 0.822246 0.674371 ] [ 0.428601 0.177179 0.825262 ] [ 0.571399 0.822821 0.174738 ] [ 0.926941 0.177754 0.325629 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.479116 0.767018 0.841705 ] [ 0.017846 0.232572 0.658387 ] [ 0.982154 0.767428 0.341613 ] [ 0.520884 0.232982 0.158295 ] [ 0.790505 0.659188 0.849222 ] [ 0.290904 0.663047 0.349326 ] [ 0.709096 0.336953 0.650674 ] [ 0.209495 0.340812 0.150778 ] [ 0.323123 0.658158 0.980497 ] [ 0.113295 0.119733 0.773228 ] [ 0.385334 0.879528 0.725587 ] [ 0.686791 0.926039 0.941072 ] [ 0.189089 0.927938 0.441035 ] [ 0.534296 0.618859 0.738716 ] [ 0.175114 0.342822 0.519671 ] [ 0.034398 0.618713 0.238128 ] [ 0.943203 0.722595 0.895396 ] [ 0.444425 0.728203 0.392931 ] [ 0.555575 0.271797 0.607069 ] [ 0.056797 0.277405 0.104604 ] [ 0.965602 0.381287 0.761872 ] [ 0.824886 0.657178 0.480329 ] [ 0.465704 0.381141 0.261284 ] [ 0.810911 0.072062 0.558965 ] [ 0.313209 0.073961 0.058928 ] [ 0.614666 0.120472 0.274413 ] [ 0.886705 0.880267 0.226772 ] [ 0.676877 0.341842 0.019503 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "Cr" "Cr" "P" "P" "P" "P" "H" "H" "H" "H" "O" "O" "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" 6.94921498 "source-unit" "angstrom" } "b" { "source-value" 7.3814709 "source-unit" "angstrom" } "c" { "source-value" 7.9739244 "source-unit" "angstrom" } "alpha" { "source-value" 91.02833232 "source-unit" "degree" } "beta" { "source-value" 92.70858714 "source-unit" "degree" } "gamma" { "source-value" 117.22489611 "source-unit" "degree" } }