{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbcn" } "basis-atom-coordinates" { "source-value" [ [ 0 0.25 0.859577 ] [ 0 0.75 0.140423 ] [ 0.5 0.75 0.640423 ] [ 0.5 0.25 0.359577 ] [ 0.691258 0.545201 0.91221 ] [ 0.308742 0.954799 0.91221 ] [ 0.191258 0.454799 0.58779 ] [ 0.191258 0.954799 0.41221 ] [ 0.308742 0.454799 0.08779 ] [ 0.691258 0.045201 0.08779 ] [ 0.808742 0.545201 0.41221 ] [ 0.808742 0.045201 0.58779 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.48929109 "source-unit" "angstrom" } "b" { "source-value" 6.17952092 "source-unit" "angstrom" } "c" { "source-value" 6.55675553 "source-unit" "angstrom" } }