{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.470332 0.208803 ] [ 0.5 0.029668 0.708803 ] [ 0.5 0.970332 0.291197 ] [ 0.5 0.529668 0.791197 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0 0.256929 0.673086 ] [ 0 0.756929 0.826914 ] [ 0.5 0.281684 0.401836 ] [ 0.5 0.781684 0.098164 ] [ 0.5 0.218316 0.901836 ] [ 0.5 0.718316 0.598164 ] [ 0 0.243071 0.173086 ] [ 0 0.743071 0.326914 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "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" 3.14699746 "source-unit" "angstrom" } "b" { "source-value" 5.04970502 "source-unit" "angstrom" } "c" { "source-value" 10.09876092 "source-unit" "angstrom" } }