{ "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" [ [ 0.776656 0 0.096648 ] [ 0.223344 0 0.903352 ] [ 0.276656 0.5 0.096648 ] [ 0.723344 0.5 0.903352 ] [ 0 0.31608 0.5 ] [ 0 0.68392 0.5 ] [ 0.5 0.81608 0.5 ] [ 0.5 0.18392 0.5 ] [ 0.580934 0 0.775029 ] [ 0.419066 0 0.224971 ] [ 0.214147 0.166701 0.709535 ] [ 0.785853 0.166701 0.290465 ] [ 0 0 0 ] [ 0.785853 0.833299 0.290465 ] [ 0.214147 0.833299 0.709535 ] [ 0.080934 0.5 0.775029 ] [ 0.919066 0.5 0.224971 ] [ 0.714147 0.666701 0.709535 ] [ 0.285853 0.666701 0.290465 ] [ 0.5 0.5 0 ] [ 0.285853 0.333299 0.290465 ] [ 0.714147 0.333299 0.709535 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "Zn" "Zn" "Zn" "Zn" "O" "O" "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" 7.00406559751 "source-unit" "angstrom" } "b" { "source-value" 8.5184815804 "source-unit" "angstrom" } "c" { "source-value" 5.09547411291 "source-unit" "angstrom" } "beta" { "source-value" 108.252447172 "source-unit" "degree" } }