{ "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 ] [ 0.905718 0.087239 0.214941 ] [ 0.102936 0.3767 0.790112 ] [ 0.897064 0.6233 0.209888 ] [ 0.281911 0.710813 0.410625 ] [ 0.094282 0.912761 0.785059 ] [ 0.279014 0.188002 0.406522 ] [ 0.720986 0.811998 0.593478 ] [ 0.5 0 0 ] [ 0.718089 0.289187 0.589375 ] [ 0.805401 0.186592 0.905741 ] [ 0.181702 0.298637 0.105325 ] [ 0 0.5 0.5 ] [ 0.401912 0.602718 0.686616 ] [ 0.194599 0.813408 0.094259 ] [ 0.585791 0.905897 0.305823 ] [ 0.414209 0.094103 0.694177 ] [ 0.598088 0.397282 0.313384 ] [ 0.818298 0.701363 0.894675 ] ] } "species" { "source-value" [ "Sc" "V" "V" "V" "V" "V" "V" "V" "V" "V" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.07202089 "source-unit" "angstrom" } "b" { "source-value" 5.86144559 "source-unit" "angstrom" } "c" { "source-value" 6.53348577 "source-unit" "angstrom" } "alpha" { "source-value" 76.75921057 "source-unit" "degree" } "beta" { "source-value" 75.13534834 "source-unit" "degree" } "gamma" { "source-value" 73.42552299 "source-unit" "degree" } }