{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnm2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.623344 0.5 0.464643 ] [ 0.698743 0.5 0.034429 ] [ 0.301257 0 0.534429 ] [ 0.830529 0.77355 0.864328 ] [ 0.474585 0.807266 0.73991 ] [ 0.525415 0.692734 0.23991 ] [ 0.830529 0.22645 0.864328 ] [ 0.169471 0.27355 0.364328 ] [ 0.169471 0.72645 0.364328 ] [ 0.525415 0.307266 0.23991 ] [ 0.886726 0.212319 0.134982 ] [ 0.113274 0.287681 0.634982 ] [ 0.113274 0.712319 0.634982 ] [ 0.886726 0.787681 0.134982 ] [ 0.474585 0.192734 0.73991 ] [ 0.376656 0 0.964643 ] [ 0.24712 0.5 0.98419 ] [ 0.75288 0 0.48419 ] [ 0.289829 0.5 0.499508 ] [ 0.710171 0 0.999508 ] [ 0.802282 0.5 0.255311 ] [ 0.197718 0 0.755311 ] [ 0.505953 0.5 0.84786 ] [ 0.494047 0 0.34786 ] [ 0.004324 0.5 0.832267 ] [ 0.995676 0 0.332267 ] [ 0.242857 0.239806 0.111476 ] [ 0.757143 0.260194 0.611476 ] [ 0.757143 0.739806 0.611476 ] [ 0.242857 0.760194 0.111476 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Sn" "Sn" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.94469687 "source-unit" "angstrom" } "b" { "source-value" 8.12718141 "source-unit" "angstrom" } "c" { "source-value" 11.22211743 "source-unit" "angstrom" } }