{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.809306 0.5 0.721911 ] [ 0.309306 0 0.721911 ] [ 0.10244 0.5 0.69233 ] [ 0.898594 0.5 0.299298 ] [ 0.197651 0.5 0.27305 ] [ 0.60244 0 0.69233 ] [ 0.398594 0 0.299298 ] [ 0.697651 0 0.27305 ] [ 0.858239 0 0.293161 ] [ 0.763967 0 0.655609 ] [ 0.133069 0.5 0.004455 ] [ 0.055655 0.5 0.375557 ] [ 0.942363 0.5 0.633782 ] [ 0.86606 0.5 0.999846 ] [ 0.240183 0 0.347618 ] [ 0.132473 0 0.703385 ] [ 0.358239 0.5 0.293161 ] [ 0.263967 0.5 0.655609 ] [ 0.633069 0 0.004455 ] [ 0.555655 0 0.375557 ] [ 0.442363 0 0.633782 ] [ 0.36606 0 0.999846 ] [ 0.740183 0.5 0.347618 ] [ 0.632473 0.5 0.703385 ] ] } "species" { "source-value" [ "Ti" "Ti" "V" "V" "V" "V" "V" "V" "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" 12.28348697 "source-unit" "angstrom" } "b" { "source-value" 3.76219482 "source-unit" "angstrom" } "c" { "source-value" 6.56786322 "source-unit" "angstrom" } "beta" { "source-value" 107.00899585 "source-unit" "degree" } }