{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1cn" } "basis-atom-coordinates" { "source-value" [ [ 0.503022 0.512998 0.841043 ] [ 0.003022 0.487002 0.158957 ] [ 0.503022 0.987002 0.341043 ] [ 0.003022 0.012998 0.658957 ] [ 0.500111 0.220447 0.071745 ] [ 0.000111 0.720447 0.428255 ] [ 0.000111 0.779553 0.928255 ] [ 0.500111 0.279553 0.571745 ] [ 0.50557 0.731136 0.095105 ] [ 0.00557 0.231136 0.404895 ] [ 0.50557 0.768864 0.595105 ] [ 0.00557 0.268864 0.904895 ] [ 0.617728 0.989914 0.669618 ] [ 0.117728 0.489914 0.830382 ] [ 0.171889 0.749451 0.61328 ] [ 0.171889 0.750549 0.11328 ] [ 0.643489 0.553094 0.667086 ] [ 0.643489 0.946906 0.167086 ] [ 0.58749 0.765603 0.938341 ] [ 0.117728 0.010086 0.330382 ] [ 0.58749 0.734397 0.438341 ] [ 0.671889 0.249451 0.88672 ] [ 0.08749 0.234397 0.061659 ] [ 0.143489 0.446906 0.332914 ] [ 0.143489 0.053094 0.832914 ] [ 0.671889 0.250549 0.38672 ] [ 0.08749 0.265603 0.561659 ] [ 0.617728 0.510086 0.169618 ] ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Zn" "Ag" "Ag" "Ag" "Ag" "P" "P" "P" "P" "S" "S" "S" "S" "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" 6.18035128 "source-unit" "angstrom" } "b" { "source-value" 7.66490877 "source-unit" "angstrom" } "c" { "source-value" 12.7305792 "source-unit" "angstrom" } }