{ "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 0 0 ] [ 0 0.5 0.5 ] [ 0.46634 0.570873 0.273425 ] [ 0.777 0.209431 0.617548 ] [ 0.53366 0.070873 0.226575 ] [ 0.223 0.709431 0.882452 ] [ 0.777 0.290569 0.117548 ] [ 0.46634 0.929127 0.773425 ] [ 0.223 0.790569 0.382452 ] [ 0.53366 0.429127 0.726575 ] [ 0.380756 0.72164 0.324363 ] [ 0.365626 0.428708 0.283831 ] [ 0.28192 0.094189 0.117916 ] [ 0.609349 0.111132 0.440444 ] [ 0.390651 0.611132 0.059556 ] [ 0.71808 0.594189 0.382084 ] [ 0.932041 0.097865 0.77037 ] [ 0.634374 0.928708 0.216169 ] [ 0.103759 0.823975 0.929396 ] [ 0.619244 0.22164 0.175637 ] [ 0.896241 0.323975 0.570604 ] [ 0.067959 0.597865 0.72963 ] [ 0.932041 0.402135 0.27037 ] [ 0.103759 0.676025 0.429396 ] [ 0.380756 0.77836 0.824363 ] [ 0.896241 0.176025 0.070604 ] [ 0.365626 0.071292 0.783831 ] [ 0.067959 0.902135 0.22963 ] [ 0.28192 0.405811 0.617916 ] [ 0.609349 0.388868 0.940444 ] [ 0.390651 0.888868 0.559556 ] [ 0.71808 0.905811 0.882084 ] [ 0.634374 0.571292 0.716169 ] [ 0.619244 0.27836 0.675637 ] ] } "species" { "source-value" [ "Mn" "Mn" "P" "P" "P" "P" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "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" 7.13229738 "source-unit" "angstrom" } "b" { "source-value" 8.77397889 "source-unit" "angstrom" } "c" { "source-value" 8.45164612 "source-unit" "angstrom" } "beta" { "source-value" 122.65405233 "source-unit" "degree" } }