{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.933007 0.528047 ] [ 0.25 0.433007 0.971953 ] [ 0.75 0.566993 0.028047 ] [ 0.25 0.066993 0.471953 ] [ 0.75 0.389352 0.657645 ] [ 0.75 0.110648 0.157645 ] [ 0.25 0.889352 0.842355 ] [ 0.25 0.610648 0.342355 ] [ 0.25 0.55054 0.605218 ] [ 0.25 0.94946 0.105218 ] [ 0.75 0.44946 0.394782 ] [ 0.75 0.05054 0.894782 ] [ 0.007983 0.612842 0.915022 ] [ 0.25 0.230323 0.365053 ] [ 0.75 0.769677 0.634947 ] [ 0.507983 0.112842 0.584978 ] [ 0.992017 0.112842 0.584978 ] [ 0.992017 0.387158 0.084978 ] [ 0.492017 0.612842 0.915022 ] [ 0.007983 0.887158 0.415022 ] [ 0.507983 0.387158 0.084978 ] [ 0.75 0.730323 0.134947 ] [ 0.492017 0.887158 0.415022 ] [ 0.25 0.269677 0.865053 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "Pb" "Pb" "Pb" "Pb" "Cl" "Cl" "Cl" "Cl" "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" 5.35928857 "source-unit" "angstrom" } "b" { "source-value" 7.31246111 "source-unit" "angstrom" } "c" { "source-value" 10.57038782 "source-unit" "angstrom" } }