{ "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" [ [ 0.58663 0.810395 0.5 ] [ 0.08663 0.189605 0 ] [ 0.615808 0.177538 0.250795 ] [ 0.115808 0.822462 0.249205 ] [ 0.591309 0.672963 0.120695 ] [ 0.091309 0.327037 0.379305 ] [ 0.091309 0.327037 0.620695 ] [ 0.591309 0.672963 0.879305 ] [ 0.115808 0.822462 0.750795 ] [ 0.615808 0.177538 0.749205 ] [ 0.167178 0.646626 0.638893 ] [ 0.667178 0.353374 0.138893 ] [ 0.167178 0.646626 0.361107 ] [ 0.753049 0.273447 0.63399 ] [ 0.753049 0.273447 0.36601 ] [ 0.253049 0.726553 0.13399 ] [ 0.701182 0.778339 0 ] [ 0.201182 0.221661 0.5 ] [ 0.75765 0.864724 0.223428 ] [ 0.25765 0.135276 0.276572 ] [ 0.25765 0.135276 0.723428 ] [ 0.75765 0.864724 0.776572 ] [ 0.253049 0.726553 0.86601 ] [ 0.667178 0.353374 0.861107 ] ] } "species" { "source-value" [ "Ca" "Ca" "B" "B" "B" "B" "B" "B" "B" "B" "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" 4.23541652 "source-unit" "angstrom" } "b" { "source-value" 4.41472567 "source-unit" "angstrom" } "c" { "source-value" 10.72126257 "source-unit" "angstrom" } }