{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.733173 0.990871 0.934621 ] [ 0.266827 0.490871 0.065379 ] [ 0.228417 0.50911 0.550903 ] [ 0.771583 0.00911 0.449097 ] [ 0.774783 0.474144 0.674517 ] [ 0.225217 0.974144 0.325483 ] [ 0.569407 0.472139 0.833696 ] [ 0.025031 0.236327 0.719364 ] [ 0.982282 0.744915 0.70143 ] [ 0.434034 0.905495 0.573088 ] [ 0.565966 0.405495 0.426912 ] [ 0.017718 0.244915 0.29857 ] [ 0.974969 0.736327 0.280636 ] [ 0.430593 0.972139 0.166304 ] ] } "species" { "source-value" [ "K" "K" "Y" "Y" "Ge" "Ge" "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" 6.54213089 "source-unit" "angstrom" } "b" { "source-value" 6.71187793 "source-unit" "angstrom" } "c" { "source-value" 8.70463892 "source-unit" "angstrom" } "beta" { "source-value" 107.32063651 "source-unit" "degree" } }