{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.241569 0.75 0.073609 ] [ 0.748936 0.996616 0.254198 ] [ 0.748936 0.503384 0.254198 ] [ 0.251064 0.496616 0.745802 ] [ 0.251064 0.003384 0.745802 ] [ 0.758431 0.25 0.926391 ] [ 0.219637 0.25 0.336545 ] [ 0.780363 0.75 0.663455 ] [ 0.267957 0.25 0.067575 ] [ 0.732043 0.75 0.932425 ] [ 0.285515 0.75 0.42239 ] [ 0.714485 0.25 0.57761 ] [ 0.703295 0.75 0.080853 ] [ 0.032649 0.25 0.138348 ] [ 0.469786 0.25 0.174316 ] [ 0.218623 0.937004 0.322177 ] [ 0.218623 0.562996 0.322177 ] [ 0.576098 0.75 0.463022 ] [ 0.867597 0.25 0.433493 ] [ 0.132403 0.75 0.566507 ] [ 0.423902 0.25 0.536978 ] [ 0.781377 0.437004 0.677823 ] [ 0.781377 0.062996 0.677823 ] [ 0.530214 0.75 0.825684 ] [ 0.967351 0.75 0.861652 ] [ 0.296705 0.25 0.919147 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Cr" "Cr" "B" "B" "P" "P" "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" 5.26059435 "source-unit" "angstrom" } "b" { "source-value" 6.56812971 "source-unit" "angstrom" } "c" { "source-value" 8.95760666 "source-unit" "angstrom" } "beta" { "source-value" 91.64665401 "source-unit" "degree" } }