{ "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" [ [ 0.509232 0.541436 0.248741 ] [ 0.009232 0.958564 0.748741 ] [ 0.490768 0.458564 0.751259 ] [ 0.990768 0.041436 0.251259 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0.219888 0.202915 0.543137 ] [ 0.797645 0.779536 0.044837 ] [ 0.202355 0.220464 0.955163 ] [ 0.280112 0.702915 0.956863 ] [ 0.719888 0.297085 0.043137 ] [ 0.297645 0.720464 0.544837 ] [ 0.915942 0.523235 0.748694 ] [ 0.584058 0.023235 0.751306 ] [ 0.780112 0.797085 0.456863 ] [ 0.702355 0.279536 0.455163 ] [ 0.415942 0.976765 0.248694 ] [ 0.084058 0.476765 0.251306 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "U" "U" "Fe" "Fe" "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" 5.89904740825 "source-unit" "angstrom" } "b" { "source-value" 5.97978493 "source-unit" "angstrom" } "c" { "source-value" 8.18846464932 "source-unit" "angstrom" } "beta" { "source-value" 90.2477779773 "source-unit" "degree" } }