{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.030428 0.259368 0.528072 ] [ 0.030428 0.740632 0.028072 ] [ 0.214839 0.340657 0.037995 ] [ 0.214839 0.659343 0.537995 ] [ 0.599656 0.239464 0.227029 ] [ 0.599656 0.760536 0.727029 ] [ 0.397503 0.261691 0.765736 ] [ 0.397503 0.738309 0.265736 ] [ 0.612148 0.446362 0.499966 ] [ 0.612148 0.553638 0.999966 ] [ 0.400355 0.051334 0.492246 ] [ 0.400355 0.948666 0.992246 ] [ 0.89202 0.525016 0.280771 ] [ 0.89202 0.474984 0.780771 ] [ 0.092798 0.957201 0.732235 ] [ 0.092798 0.042799 0.232235 ] [ 0.800618 0.860715 0.455967 ] [ 0.800618 0.139285 0.955967 ] [ 0.259218 0.378001 0.331191 ] [ 0.259218 0.621999 0.831191 ] [ 0.737569 0.12377 0.667162 ] [ 0.737569 0.87623 0.167162 ] ] } "species" { "source-value" [ "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ir" "Ir" "Ir" "Ir" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.51341890862 "source-unit" "angstrom" } "b" { "source-value" 6.45253535 "source-unit" "angstrom" } "c" { "source-value" 8.92349535664 "source-unit" "angstrom" } "beta" { "source-value" 93.2236686339 "source-unit" "degree" } }