{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1nm" } "basis-atom-coordinates" { "source-value" [ [ 0.709479 0.833554 0.282801 ] [ 0.209479 0.166446 0.217199 ] [ 0.209479 0.166446 0.782801 ] [ 0.709479 0.833554 0.717199 ] [ 0.872002 0.465888 0.28837 ] [ 0.372002 0.534112 0.21163 ] [ 0.372002 0.534112 0.78837 ] [ 0.872002 0.465888 0.71163 ] [ 0.161832 0.661409 0.5 ] [ 0.661832 0.338591 0 ] [ 0.877621 0.03432 0 ] [ 0.377621 0.96568 0.5 ] [ 0.390599 0.891705 0 ] [ 0.890599 0.108295 0.5 ] [ 0.998713 0.673119 0 ] [ 0.498713 0.326881 0.5 ] [ 0.701075 0.682091 0 ] [ 0.201075 0.317909 0.5 ] [ 0.093822 0.806206 0.201461 ] [ 0.593822 0.193794 0.298539 ] [ 0.593822 0.193794 0.701461 ] [ 0.093822 0.806206 0.798539 ] [ 0.577905 0.59024 0.5 ] [ 0.077905 0.40976 0 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "Ta" "Ta" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.41874936 "source-unit" "angstrom" } "b" { "source-value" 9.24858581 "source-unit" "angstrom" } "c" { "source-value" 10.37117819 "source-unit" "angstrom" } }