{ "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 0 0 ] [ 0.074515 0.388294 0.811782 ] [ 0.644922 0.581288 0.698407 ] [ 0.355078 0.418712 0.301593 ] [ 0.925485 0.611706 0.188218 ] [ 0.497391 0.233412 0.864498 ] [ 0.777747 0.209322 0.390295 ] [ 0.222253 0.790678 0.609705 ] [ 0.502609 0.766588 0.135502 ] [ 0.861416 0.206653 0.581609 ] [ 0.784518 0.349337 0.956688 ] [ 0.547605 0.007945 0.261055 ] [ 0.413943 0.356366 0.748753 ] [ 0.009211 0.223015 0.262021 ] [ 0.660367 0.405105 0.428504 ] [ 0.315336 0.234981 0.028477 ] [ 0.684664 0.765019 0.971523 ] [ 0.339633 0.594895 0.571496 ] [ 0.990789 0.776985 0.737979 ] [ 0.586057 0.643634 0.251247 ] [ 0.452395 0.992055 0.738945 ] [ 0.215482 0.650663 0.043312 ] [ 0.138584 0.793347 0.418391 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Si" "Si" "Si" "Si" "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" 5.67118529 "source-unit" "angstrom" } "b" { "source-value" 7.39774063 "source-unit" "angstrom" } "c" { "source-value" 7.88187566 "source-unit" "angstrom" } "alpha" { "source-value" 112.1050735 "source-unit" "degree" } "beta" { "source-value" 90.95609907 "source-unit" "degree" } "gamma" { "source-value" 106.06973076 "source-unit" "degree" } }