{ "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" [ [ 0.267877 0.25 0.259375 ] [ 0.732123 0.75 0.740625 ] [ 0.999881 0.25 0.750239 ] [ 0.000119 0.75 0.249761 ] [ 0.33365 0.75 0.746888 ] [ 0.66635 0.25 0.253112 ] [ 0.82456 0.75 0.025544 ] [ 0.186012 0.534882 0.259193 ] [ 0.186012 0.965118 0.259193 ] [ 0.804208 0.75 0.455392 ] [ 0.195792 0.25 0.544608 ] [ 0.813988 0.034882 0.740807 ] [ 0.17544 0.25 0.974456 ] [ 0.813988 0.465118 0.740807 ] ] } "species" { "source-value" [ "Fe" "Fe" "Mo" "Mo" "Cl" "Cl" "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" 5.60218771799 "source-unit" "angstrom" } "b" { "source-value" 6.78393538 "source-unit" "angstrom" } "c" { "source-value" 6.7796675283 "source-unit" "angstrom" } "beta" { "source-value" 91.3682098471 "source-unit" "degree" } }