{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.101941 0.5 0.186112 ] [ 0.402135 0 0.694111 ] [ 0.602275 0.5 0.309155 ] [ 0.894529 0 0.812319 ] [ 0.11755 0.5 0.568093 ] [ 0.387114 0 0.064037 ] [ 0.621524 0.5 0.936022 ] [ 0.883481 0 0.430062 ] [ 0.1674 0.5 0.87423 ] [ 0.335984 0 0.372586 ] [ 0.665743 0.5 0.623799 ] [ 0.828851 0 0.125328 ] [ 0.00465 0.5 0.388458 ] [ 0.025243 0.5 0.875275 ] [ 0.245105 0.5 0.000581 ] [ 0.239814 0.5 0.745805 ] [ 0.262026 0 0.246136 ] [ 0.261498 0 0.501521 ] [ 0.47867 0 0.374039 ] [ 0.48925 0 0.888277 ] [ 0.505129 0.5 0.121616 ] [ 0.523071 0.5 0.62489 ] [ 0.735596 0.5 0.491871 ] [ 0.744221 0.5 0.746952 ] [ 0.752612 0 0.252495 ] [ 0.758965 0 0.997359 ] [ 0.970573 0 0.135747 ] [ 0.99505 0 0.613125 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Fe" "Fe" "Fe" "Fe" "B" "B" "B" "B" "O" "O" "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" 9.50826151 "source-unit" "angstrom" } "b" { "source-value" 3.22477456 "source-unit" "angstrom" } "c" { "source-value" 9.53667814 "source-unit" "angstrom" } "beta" { "source-value" 90.58207075 "source-unit" "degree" } }