{ "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" [ [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.166479 0.722715 0.866277 ] [ 0.666479 0.777285 0.866277 ] [ 0.369039 0.326505 0.686982 ] [ 0.869039 0.173495 0.686982 ] [ 0.130961 0.826505 0.313018 ] [ 0.630961 0.673495 0.313018 ] [ 0.333521 0.222715 0.133723 ] [ 0.833521 0.277285 0.133723 ] ] } "species" { "source-value" [ "Mn" "Mn" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.33840511 "source-unit" "angstrom" } "b" { "source-value" 4.74221118 "source-unit" "angstrom" } "c" { "source-value" 5.55465768 "source-unit" "angstrom" } "beta" { "source-value" 116.55100288 "source-unit" "degree" } }