{ "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" [ [ 0.808126 0.119892 0.140522 ] [ 0.191874 0.619892 0.359478 ] [ 0.808126 0.380108 0.640522 ] [ 0.191874 0.880108 0.859478 ] [ 0.3777 0.837256 0.133481 ] [ 0.6223 0.337256 0.366519 ] [ 0.3777 0.662744 0.633481 ] [ 0.6223 0.162744 0.866519 ] [ 0.232235 0.665005 0.727626 ] [ 0.714169 0.852905 0.227213 ] [ 0.289637 0.056776 0.037715 ] [ 0.269076 0.658122 0.012269 ] [ 0.730924 0.341878 0.987731 ] [ 0.232235 0.834995 0.227626 ] [ 0.285831 0.147095 0.772787 ] [ 0.269076 0.841878 0.512269 ] [ 0.710363 0.556776 0.462285 ] [ 0.285831 0.352905 0.272787 ] [ 0.767765 0.334995 0.272374 ] [ 0.767765 0.165005 0.772374 ] [ 0.710363 0.943224 0.962285 ] [ 0.714169 0.647095 0.727213 ] [ 0.289637 0.443224 0.537715 ] [ 0.730924 0.158122 0.487731 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "P" "P" "P" "P" "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" 5.29494836 "source-unit" "angstrom" } "b" { "source-value" 5.96485181 "source-unit" "angstrom" } "c" { "source-value" 10.66082074 "source-unit" "angstrom" } "beta" { "source-value" 119.31669576 "source-unit" "degree" } }