{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.106016 0.5 0.687022 ] [ 0 0 0 ] [ 0.893984 0.5 0.312978 ] [ 0.606016 0 0.687022 ] [ 0.5 0.5 0 ] [ 0.393984 0 0.312978 ] [ 0.205062 0.5 0.349937 ] [ 0.794938 0.5 0.650063 ] [ 0.705062 0 0.349937 ] [ 0.294938 0 0.650063 ] [ 0.211606 0.5 0.055678 ] [ 0.788394 0.5 0.944322 ] [ 0.893684 0 0.608532 ] [ 0.106316 0 0.391468 ] [ 0.711606 0 0.055678 ] [ 0.288394 0 0.944322 ] [ 0.393684 0.5 0.608532 ] [ 0.606316 0.5 0.391468 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Al" "Al" "Al" "Al" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 12.7410884267 "source-unit" "angstrom" } "b" { "source-value" 4.21660255 "source-unit" "angstrom" } "c" { "source-value" 8.95514881957 "source-unit" "angstrom" } "beta" { "source-value" 110.178199662 "source-unit" "degree" } }