{ "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" [ [ 0.658468 0.75676 0.024692 ] [ 0.341532 0.24324 0.975308 ] [ 0.733703 0.282013 0.57905 ] [ 0.266297 0.717987 0.42095 ] [ 0.232983 0.273301 0.57325 ] [ 0.767017 0.726699 0.42675 ] [ 0.07065 0.705133 0.150125 ] [ 0.92935 0.294867 0.849875 ] [ 0.183163 0.378716 0.249102 ] [ 0.586785 0.342247 0.264353 ] [ 0.413215 0.657753 0.735647 ] [ 0.230622 0.934973 0.811435 ] [ 0.769378 0.065027 0.188565 ] [ 0.816837 0.621284 0.750898 ] [ 0.184516 0.894051 0.990542 ] [ 0.759588 0.394917 0.856426 ] [ 0.329233 0.172599 0.734193 ] [ 0.670767 0.827401 0.265807 ] [ 0.167622 0.465321 0.848752 ] [ 0.832378 0.534679 0.151248 ] [ 0.11086 0.352606 0.420142 ] [ 0.88914 0.647394 0.579858 ] [ 0.049177 0.781578 0.286192 ] [ 0.950823 0.218422 0.713808 ] [ 0.520956 0.335218 0.431371 ] [ 0.418393 0.373776 0.179602 ] [ 0.414514 0.866196 0.746638 ] [ 0.585486 0.133804 0.253362 ] [ 0.99163 0.791944 0.798551 ] [ 0.00837 0.208056 0.201449 ] [ 0.815484 0.105949 0.009458 ] [ 0.479044 0.664782 0.568629 ] [ 0.581607 0.626224 0.820398 ] [ 0.240412 0.605083 0.143574 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Cu" "Cu" "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.00289707166 "source-unit" "angstrom" } "b" { "source-value" 7.79261585174 "source-unit" "angstrom" } "c" { "source-value" 9.870513855 "source-unit" "angstrom" } "alpha" { "source-value" 105.868503068 "source-unit" "degree" } "beta" { "source-value" 99.030108054 "source-unit" "degree" } "gamma" { "source-value" 114.325292962 "source-unit" "degree" } }