{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1nb" } "basis-atom-coordinates" { "source-value" [ [ 0.988576 0.584668 0.877199 ] [ 0.488576 0.915332 0.377199 ] [ 0.488576 0.415332 0.122801 ] [ 0.988576 0.084668 0.622801 ] [ 0.000067 0.069839 0.125446 ] [ 0.500067 0.930161 0.874554 ] [ 0.500067 0.430161 0.625446 ] [ 0.000067 0.569839 0.374554 ] [ 0.4108 0.609688 0.844182 ] [ 0.9108 0.390312 0.155818 ] [ 0.9108 0.890312 0.344182 ] [ 0.4108 0.109688 0.655818 ] [ 0.346577 0.548014 0.404881 ] [ 0.346577 0.048014 0.095119 ] [ 0.846577 0.951986 0.904881 ] [ 0.846577 0.451986 0.595119 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Si" "Si" "Si" "Si" "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" 5.03054452 "source-unit" "angstrom" } "b" { "source-value" 5.31004588 "source-unit" "angstrom" } "c" { "source-value" 6.50364532 "source-unit" "angstrom" } }