{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.5 ] [ 0.500753 0.665497 0.831139 ] [ 0.499247 0.334503 0.168861 ] [ 0 0.5 0.5 ] [ 0.982622 0.830176 0.15386 ] [ 0.017378 0.169824 0.84614 ] [ 0.812495 0.541689 0.272814 ] [ 0.80541 0.877239 0.927129 ] [ 0.694402 0.37239 0.936188 ] [ 0.69039 0.700763 0.597109 ] [ 0.694074 0.040035 0.272554 ] [ 0.30961 0.299237 0.402891 ] [ 0.305598 0.62761 0.063812 ] [ 0.305926 0.959965 0.727446 ] [ 0.19459 0.122761 0.072871 ] [ 0.187505 0.458311 0.727186 ] [ 0.804608 0.196069 0.604057 ] [ 0.195392 0.803931 0.395943 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.63788641 "source-unit" "angstrom" } "b" { "source-value" 5.51149747 "source-unit" "angstrom" } "c" { "source-value" 7.65604825 "source-unit" "angstrom" } "alpha" { "source-value" 85.4547324 "source-unit" "degree" } "beta" { "source-value" 88.38530828 "source-unit" "degree" } "gamma" { "source-value" 88.2019111 "source-unit" "degree" } }