{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.497983 0.511201 0.16798 ] [ 0.002017 0.011201 0.33202 ] [ 0.502017 0.488799 0.83202 ] [ 0.997983 0.988799 0.66798 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.797278 0.188508 0.823431 ] [ 0.289871 0.273166 0.688472 ] [ 0.789871 0.226834 0.188472 ] [ 0.710129 0.726834 0.311528 ] [ 0.686793 0.686227 0.999334 ] [ 0.813207 0.186227 0.500666 ] [ 0.202722 0.811492 0.176569 ] [ 0.186793 0.813773 0.499334 ] [ 0.702722 0.688508 0.676569 ] [ 0.210129 0.773166 0.811528 ] [ 0.297278 0.311492 0.323431 ] [ 0.313207 0.313773 0.000666 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "Cr" "Cr" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.81394737531 "source-unit" "angstrom" } "b" { "source-value" 4.82481049 "source-unit" "angstrom" } "c" { "source-value" 9.3922022511 "source-unit" "angstrom" } "beta" { "source-value" 91.3914826683 "source-unit" "degree" } }