{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.795586 0.304559 0.94299 ] [ 0.204414 0.695441 0.05701 ] [ 0.688417 0.737351 0.168243 ] [ 0.311583 0.262649 0.831757 ] [ 0.578747 0.230984 0.675395 ] [ 0.421253 0.769016 0.324605 ] [ 0.878727 0.964257 0.186501 ] [ 0.121273 0.035743 0.813499 ] [ 0.595157 0.708964 0.91017 ] [ 0.404843 0.291036 0.08983 ] [ 0.916814 0.480719 0.229436 ] [ 0.083186 0.519281 0.770564 ] ] } "species" { "source-value" [ "Sc" "Sc" "P" "P" "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" 6.26745093 "source-unit" "angstrom" } "b" { "source-value" 6.57324884 "source-unit" "angstrom" } "c" { "source-value" 7.52471213 "source-unit" "angstrom" } "alpha" { "source-value" 87.24963864 "source-unit" "degree" } "beta" { "source-value" 88.87849041 "source-unit" "degree" } "gamma" { "source-value" 80.91467974 "source-unit" "degree" } }