{ "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 0.5 0 ] [ 0.484293 0.179687 0.336991 ] [ 0.515707 0.820313 0.663009 ] [ 0.971408 0.349588 0.676834 ] [ 0.028592 0.650412 0.323166 ] [ 0 0 0 ] [ 0.701194 0.531377 0.769983 ] [ 0.298806 0.468623 0.230017 ] [ 0.806309 0.36951 0.436055 ] [ 0.805886 0.036064 0.763992 ] [ 0.804361 0.704088 0.105059 ] [ 0.695364 0.200917 0.103538 ] [ 0.705709 0.864192 0.427124 ] [ 0.294291 0.135808 0.572876 ] [ 0.304636 0.799083 0.896462 ] [ 0.194114 0.963936 0.236008 ] [ 0.195639 0.295912 0.894941 ] [ 0.193691 0.63049 0.563945 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "Co" "Co" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "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" 4.71915293 "source-unit" "angstrom" } "b" { "source-value" 5.69472078 "source-unit" "angstrom" } "c" { "source-value" 7.90528282 "source-unit" "angstrom" } "alpha" { "source-value" 87.35846986 "source-unit" "degree" } "beta" { "source-value" 88.53202943 "source-unit" "degree" } "gamma" { "source-value" 88.27782366 "source-unit" "degree" } }