{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.219235 0.991529 0.728202 ] [ 0.780765 0.491529 0.271798 ] [ 0.772038 0.223966 0.898926 ] [ 0.227962 0.723966 0.101074 ] [ 0.609745 0.811602 0.490025 ] [ 0.390255 0.311602 0.509975 ] [ 0.582645 0.06718 0.908793 ] [ 0.047071 0.177935 0.837884 ] [ 0.952929 0.677935 0.162116 ] [ 0.870139 0.324837 0.094181 ] [ 0.845652 0.947273 0.536505 ] [ 0.722869 0.629337 0.485472 ] [ 0.58929 0.309551 0.369892 ] [ 0.417355 0.56718 0.091207 ] [ 0.154348 0.447273 0.463495 ] [ 0.582822 0.356068 0.735604 ] [ 0.129861 0.824837 0.905819 ] [ 0.41071 0.809551 0.630108 ] [ 0.277131 0.129337 0.514528 ] [ 0.417178 0.856068 0.264396 ] ] } "species" { "source-value" [ "Mn" "Mn" "P" "P" "P" "P" "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" 4.78066136563 "source-unit" "angstrom" } "b" { "source-value" 7.87548871 "source-unit" "angstrom" } "c" { "source-value" 6.91681681864 "source-unit" "angstrom" } "beta" { "source-value" 106.354680455 "source-unit" "degree" } }