{ "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" [ [ 0.014129 0.944349 0.746696 ] [ 0.485871 0.444349 0.753304 ] [ 0.985871 0.055651 0.253304 ] [ 0.514129 0.555651 0.246696 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.319825 0.717177 0.559545 ] [ 0.180175 0.217177 0.940455 ] [ 0.680175 0.282823 0.440455 ] [ 0.819825 0.782823 0.059545 ] [ 0.787685 0.813776 0.450968 ] [ 0.712315 0.313776 0.049032 ] [ 0.212315 0.186224 0.549032 ] [ 0.287685 0.686224 0.950968 ] [ 0.896128 0.539992 0.765091 ] [ 0.603872 0.039992 0.734909 ] [ 0.396128 0.960008 0.265091 ] [ 0.103872 0.460008 0.234909 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Mn" "Mn" "W" "W" "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" 5.52277029492 "source-unit" "angstrom" } "b" { "source-value" 5.7386433 "source-unit" "angstrom" } "c" { "source-value" 7.92871791022 "source-unit" "angstrom" } "beta" { "source-value" 90.277323734 "source-unit" "degree" } }