{ "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" [ [ 0.761127 0.25 0.083633 ] [ 0.251853 0.005377 0.258023 ] [ 0.251853 0.494623 0.258023 ] [ 0.748147 0.505377 0.741977 ] [ 0.748147 0.994623 0.741977 ] [ 0.238873 0.75 0.916367 ] [ 0.774111 0.75 0.365568 ] [ 0.225889 0.25 0.634432 ] [ 0.701286 0.25 0.410642 ] [ 0.298714 0.75 0.589358 ] [ 0.736627 0.75 0.063068 ] [ 0.263373 0.25 0.936932 ] [ 0.279572 0.25 0.066479 ] [ 0.940337 0.75 0.122214 ] [ 0.549619 0.75 0.135553 ] [ 0.775626 0.082539 0.331037 ] [ 0.775626 0.417461 0.331037 ] [ 0.431441 0.25 0.424014 ] [ 0.186893 0.75 0.446329 ] [ 0.813107 0.25 0.553671 ] [ 0.568559 0.75 0.575986 ] [ 0.224374 0.582539 0.668963 ] [ 0.224374 0.917461 0.668963 ] [ 0.450381 0.25 0.864447 ] [ 0.059663 0.25 0.877786 ] [ 0.720428 0.75 0.933521 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "Sr" "Sr" "P" "P" "C" "C" "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" 5.76335199 "source-unit" "angstrom" } "b" { "source-value" 7.59896549 "source-unit" "angstrom" } "c" { "source-value" 10.03172418 "source-unit" "angstrom" } "beta" { "source-value" 90.84597021 "source-unit" "degree" } }