{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.937774 0.169841 0.809181 ] [ 0.437774 0.330159 0.809181 ] [ 0.062226 0.830159 0.190819 ] [ 0.562226 0.669841 0.190819 ] [ 0.131389 0.544968 0.909673 ] [ 0.628149 0.368551 0.495202 ] [ 0.871851 0.868551 0.504798 ] [ 0.368611 0.044968 0.090327 ] [ 0.128149 0.131449 0.495202 ] [ 0.371851 0.631449 0.504798 ] [ 0.631389 0.955032 0.909673 ] [ 0.868611 0.455032 0.090327 ] [ 0.251055 0.837337 0.750399 ] [ 0.248945 0.337337 0.249601 ] [ 0.748945 0.162663 0.249601 ] [ 0.751055 0.662663 0.750399 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.75995007786 "source-unit" "angstrom" } "b" { "source-value" 6.9382711 "source-unit" "angstrom" } "c" { "source-value" 6.87224613591 "source-unit" "angstrom" } "beta" { "source-value" 108.88061458 "source-unit" "degree" } }