{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.75148 0.394456 ] [ 0.75 0.24852 0.605544 ] [ 0.25 0.25148 0.105544 ] [ 0.75 0.74852 0.894456 ] [ 0.25 0.984653 0.660594 ] [ 0.75 0.015347 0.339406 ] [ 0.25 0.484653 0.839406 ] [ 0.75 0.515347 0.160594 ] [ 0.75 0.141353 0.922277 ] [ 0.25 0.858647 0.077723 ] [ 0.75 0.641353 0.577723 ] [ 0.25 0.358647 0.422277 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "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" 3.64279305 "source-unit" "angstrom" } "b" { "source-value" 6.01346156 "source-unit" "angstrom" } "c" { "source-value" 7.08072845 "source-unit" "angstrom" } }