{ "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" [ [ 0.262473 0.980605 0.611624 ] [ 0.737527 0.480605 0.388376 ] [ 0.737527 0.019395 0.388376 ] [ 0.262473 0.519395 0.611624 ] [ 0.470644 0.25 0.048225 ] [ 0.529356 0.75 0.951775 ] [ 0.782733 0.25 0.022361 ] [ 0.217267 0.75 0.977639 ] [ 0.783641 0.25 0.534922 ] [ 0.216359 0.75 0.465078 ] [ 0.527615 0.957431 0.775037 ] [ 0.472385 0.457431 0.224963 ] [ 0.472385 0.042569 0.224963 ] [ 0.527615 0.542569 0.775037 ] [ 0.11822 0.961096 0.817655 ] [ 0.88178 0.461096 0.182345 ] [ 0.11822 0.538904 0.817655 ] [ 0.88178 0.038904 0.182345 ] ] } "species" { "source-value" [ "As" "As" "As" "As" "As" "As" "As" "As" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.09387660815 "source-unit" "angstrom" } "b" { "source-value" 8.47734936 "source-unit" "angstrom" } "c" { "source-value" 8.26183759609 "source-unit" "angstrom" } "beta" { "source-value" 102.632053421 "source-unit" "degree" } }