{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.09617 0.5 0.96572 ] [ 0.167142 0.5 0.466552 ] [ 0.029059 0 0.258589 ] [ 0.800694 0 0.193492 ] [ 0.199306 0 0.806508 ] [ 0.970941 0 0.741411 ] [ 0.832858 0.5 0.533448 ] [ 0.90383 0.5 0.03428 ] [ 0.59617 0 0.96572 ] [ 0.667142 0 0.466552 ] [ 0.529059 0.5 0.258589 ] [ 0.300694 0.5 0.193492 ] [ 0.699306 0.5 0.806508 ] [ 0.470941 0.5 0.741411 ] [ 0.332858 0 0.533448 ] [ 0.40383 0 0.03428 ] [ 0.187789 0 0.206337 ] [ 0.812211 0 0.793663 ] [ 0.687789 0.5 0.206337 ] [ 0.312211 0.5 0.793663 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.224309 0.5 0.827964 ] [ 0.177763 0 0.426424 ] [ 0.892247 0 0.985044 ] [ 0.107753 0 0.014956 ] [ 0.822237 0 0.573576 ] [ 0.025357 0.5 0.282492 ] [ 0.775691 0.5 0.172036 ] [ 0.974643 0.5 0.717508 ] [ 0.724309 0 0.827964 ] [ 0.677763 0.5 0.426424 ] [ 0.392247 0.5 0.985044 ] [ 0.607753 0.5 0.014956 ] [ 0.322237 0.5 0.573576 ] [ 0.525357 0 0.282492 ] [ 0.275691 0 0.172036 ] [ 0.474643 0 0.717508 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Mn" "Mn" "Mn" "Mn" "Fe" "Fe" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 18.8701022558 "source-unit" "angstrom" } "b" { "source-value" 5.33747153196 "source-unit" "angstrom" } "c" { "source-value" 7.56478003017 "source-unit" "angstrom" } "beta" { "source-value" 106.175008432 "source-unit" "degree" } }