{ "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 0.657587 0.452584 ] [ 0.75 0.342413 0.547416 ] [ 0.25 0.157587 0.047416 ] [ 0.75 0.842413 0.952584 ] [ 0.75 0.944468 0.334042 ] [ 0.25 0.055532 0.665958 ] [ 0.75 0.444468 0.165958 ] [ 0.25 0.555532 0.834042 ] [ 0.25 0.510635 0.606569 ] [ 0.75 0.489365 0.393431 ] [ 0.25 0.010635 0.893431 ] [ 0.75 0.989365 0.106569 ] [ 0.75 0.823264 0.507929 ] [ 0.25 0.176736 0.492071 ] [ 0.75 0.323264 0.992071 ] [ 0.25 0.676736 0.007929 ] [ 0.75 0.733606 0.787312 ] [ 0.25 0.266394 0.212688 ] [ 0.75 0.233606 0.712688 ] [ 0.25 0.766394 0.287312 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Sn" "Sn" "Sn" "Sn" "S" "S" "S" "S" "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" 3.75387131 "source-unit" "angstrom" } "b" { "source-value" 9.5725134 "source-unit" "angstrom" } "c" { "source-value" 14.15166526 "source-unit" "angstrom" } }