{ "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" [ [ 0.250749 0.408184 0.409056 ] [ 0.771782 0.578538 0.113297 ] [ 0.749251 0.591816 0.590944 ] [ 0.228218 0.421462 0.886703 ] [ 0.924188 0.211118 0.598342 ] [ 0.916682 0.195396 0.997239 ] [ 0.075812 0.788882 0.401658 ] [ 0.429293 0.206961 0.606715 ] [ 0.083318 0.804604 0.002761 ] [ 0.430414 0.197592 0.99456 ] [ 0.570707 0.793039 0.393285 ] [ 0.569586 0.802408 0.00544 ] [ 0.362397 0.093077 0.280558 ] [ 0.267051 0.573961 0.178269 ] [ 0.716625 0.382822 0.303574 ] [ 0.283375 0.617178 0.696426 ] [ 0.732949 0.426039 0.821731 ] [ 0.924904 0.083686 0.278084 ] [ 0.075096 0.916314 0.721916 ] [ 0.637603 0.906923 0.719442 ] [ 0.227071 0.412447 0.601281 ] [ 0.859403 0.272391 0.346823 ] [ 0.715671 0.35133 0.143249 ] [ 0.158144 0.157372 0.301884 ] [ 0.728397 0.409702 0.660635 ] [ 0.620186 0.009713 0.615835 ] [ 0.865967 0.991102 0.119241 ] [ 0.284329 0.64867 0.856751 ] [ 0.618115 0.997398 0.877844 ] [ 0.488733 0.666045 0.159307 ] [ 0.902194 0.322305 0.835767 ] [ 0.772929 0.587553 0.398719 ] [ 0.134033 0.008898 0.880759 ] [ 0.140597 0.727609 0.653177 ] [ 0.511267 0.333955 0.840693 ] [ 0.381885 0.002602 0.122156 ] [ 0.135603 0.033456 0.62622 ] [ 0.503684 0.294192 0.343283 ] [ 0.379814 0.990287 0.384165 ] [ 0.213553 0.375958 0.066272 ] [ 0.496316 0.705808 0.656717 ] [ 0.864397 0.966544 0.37378 ] [ 0.271603 0.590298 0.339365 ] [ 0.841856 0.842628 0.698116 ] [ 0.786447 0.624042 0.933728 ] [ 0.097806 0.677695 0.164233 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "O" "O" "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" 7.22243898787 "source-unit" "angstrom" } "b" { "source-value" 8.31926872454 "source-unit" "angstrom" } "c" { "source-value" 10.5855875111 "source-unit" "angstrom" } "alpha" { "source-value" 109.313155336 "source-unit" "degree" } "beta" { "source-value" 89.8977578318 "source-unit" "degree" } "gamma" { "source-value" 102.191262061 "source-unit" "degree" } }