{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.563126 0.25 0.219123 ] [ 0.436874 0.75 0.780877 ] [ 0.958552 0.25 0.723834 ] [ 0.041448 0.75 0.276166 ] [ 0.911803 0.75 0.599453 ] [ 0.582609 0.75 0.095606 ] [ 0.417391 0.25 0.904394 ] [ 0.088197 0.25 0.400547 ] [ 0.850481 0.75 0.447192 ] [ 0.775426 0.953822 0.671977 ] [ 0.775426 0.546178 0.671977 ] [ 0.774231 0.25 0.381092 ] [ 0.723428 0.25 0.882786 ] [ 0.733761 0.948901 0.169683 ] [ 0.733761 0.551099 0.169683 ] [ 0.650539 0.75 0.944091 ] [ 0.349461 0.25 0.055909 ] [ 0.266239 0.448901 0.830317 ] [ 0.266239 0.051099 0.830317 ] [ 0.276572 0.75 0.117214 ] [ 0.225769 0.75 0.618908 ] [ 0.224574 0.453822 0.328023 ] [ 0.224574 0.046178 0.328023 ] [ 0.149519 0.25 0.552808 ] ] } "species" { "source-value" [ "Mn" "Mn" "Fe" "Fe" "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" 4.90803796 "source-unit" "angstrom" } "b" { "source-value" 5.97452271 "source-unit" "angstrom" } "c" { "source-value" 9.87202346 "source-unit" "angstrom" } "beta" { "source-value" 90.71180464 "source-unit" "degree" } }