{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.999667 0 0.001201 ] [ 0.100547 0.5 0.80804 ] [ 0.202373 0 0.600614 ] [ 0.800295 0 0.900388 ] [ 0.799743 0 0.400046 ] [ 0.901828 0.5 0.698662 ] [ 0.898117 0.5 0.200872 ] [ 0.000109 0 0.499867 ] [ 0.098943 0.5 0.294364 ] [ 0.19858 0 0.099141 ] [ 0.499667 0.5 0.001201 ] [ 0.600547 0 0.80804 ] [ 0.702373 0.5 0.600614 ] [ 0.300295 0.5 0.900388 ] [ 0.299743 0.5 0.400046 ] [ 0.401828 0 0.698662 ] [ 0.398117 0 0.200872 ] [ 0.500109 0.5 0.499867 ] [ 0.598943 0 0.294364 ] [ 0.69858 0.5 0.099141 ] [ 0.851031 0 0.675998 ] [ 0.948787 0 0.224157 ] [ 0.051376 0 0.774662 ] [ 0.150197 0.5 0.573561 ] [ 0.248408 0.5 0.123427 ] [ 0.351031 0.5 0.675998 ] [ 0.448787 0.5 0.224157 ] [ 0.551376 0.5 0.774662 ] [ 0.650197 0 0.573561 ] [ 0.748408 0 0.123427 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 27.5037063691 "source-unit" "angstrom" } "b" { "source-value" 3.88768157 "source-unit" "angstrom" } "c" { "source-value" 7.63436723256 "source-unit" "angstrom" } "beta" { "source-value" 98.0022805236 "source-unit" "degree" } }