{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1mn" } "basis-atom-coordinates" { "source-value" [ [ 0.62432 0.5 0.464187 ] [ 0.12432 0 0.535813 ] [ 0.517802 0.5 0.019044 ] [ 0.017802 0 0.980956 ] [ 0.083139 0.5 0.782679 ] [ 0.583139 0 0.217321 ] [ 0.07689 0.636353 0.203024 ] [ 0.57689 0.863647 0.796976 ] [ 0.07689 0.363647 0.203024 ] [ 0.57689 0.136353 0.796976 ] [ 0.196277 0.5 0.216694 ] [ 0.696277 0 0.783306 ] [ 0.275611 0 0.182065 ] [ 0.775611 0.5 0.817935 ] [ 0.633957 0 0.395402 ] [ 0.133957 0.5 0.604598 ] [ 0.724057 0.216503 0.135852 ] [ 0.224057 0.283497 0.864148 ] [ 0.724057 0.783497 0.135852 ] [ 0.224057 0.716503 0.864148 ] ] } "species" { "source-value" [ "K" "K" "Mn" "Mn" "P" "P" "H" "H" "H" "H" "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" 4.92579078 "source-unit" "angstrom" } "b" { "source-value" 5.76213043 "source-unit" "angstrom" } "c" { "source-value" 8.49265752 "source-unit" "angstrom" } }