{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.219922 0.5 0.272649 ] [ 0.780078 0.5 0.727351 ] [ 0.5 0 0.5 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.285494 0 0.75766 ] [ 0.714506 0 0.24234 ] [ 0.704805 0 0.112928 ] [ 0.821464 0.5 0.912327 ] [ 0.295195 0 0.887072 ] [ 0.178536 0.5 0.087673 ] [ 0.496493 0 0.696552 ] [ 0.503507 0 0.303448 ] [ 0.767135 0.5 0.531567 ] [ 0.063704 0 0.692047 ] [ 0.936296 0 0.307953 ] [ 0.232865 0.5 0.468433 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "B" "B" "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" 5.58781893685 "source-unit" "angstrom" } "b" { "source-value" 3.10429196 "source-unit" "angstrom" } "c" { "source-value" 10.7972844516 "source-unit" "angstrom" } "beta" { "source-value" 93.3519663448 "source-unit" "degree" } }