{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pna2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.962423 0.041427 0.63022 ] [ 0.462423 0.458573 0.13022 ] [ 0.962423 0.541427 0.86978 ] [ 0.462423 0.958573 0.36978 ] [ 0.965435 0.165282 0.04241 ] [ 0.465435 0.334718 0.54241 ] [ 0.965435 0.665282 0.45759 ] [ 0.465435 0.834718 0.95759 ] [ 0.558344 0.228663 0.85459 ] [ 0.058344 0.271337 0.35459 ] [ 0.558344 0.728663 0.64541 ] [ 0.058344 0.771337 0.14541 ] [ 0.665361 0.053592 0.93218 ] [ 0.204848 0.135501 0.460516 ] [ 0.248452 0.250913 0.848946 ] [ 0.687137 0.225501 0.696389 ] [ 0.187137 0.274499 0.196389 ] [ 0.748452 0.249087 0.348946 ] [ 0.704848 0.364499 0.960516 ] [ 0.165361 0.446408 0.43218 ] [ 0.665361 0.553592 0.56782 ] [ 0.204848 0.635501 0.039484 ] [ 0.248452 0.750913 0.651054 ] [ 0.687137 0.725501 0.803611 ] [ 0.187137 0.774499 0.303611 ] [ 0.748452 0.749087 0.151054 ] [ 0.704848 0.864499 0.539484 ] [ 0.165361 0.946408 0.06782 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.86136845 "source-unit" "angstrom" } "b" { "source-value" 7.65980821 "source-unit" "angstrom" } "c" { "source-value" 8.99804805 "source-unit" "angstrom" } }