{ "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" [ [ 0.973715 0.806287 0.166761 ] [ 0.52285 0.342998 0.177443 ] [ 0.026285 0.193713 0.833239 ] [ 0.5 0 0.5 ] [ 0.47715 0.657002 0.822557 ] [ 0 0.5 0.5 ] [ 0.187408 0.471054 0.7203 ] [ 0.812592 0.528946 0.2797 ] [ 0.784172 0.851232 0.934068 ] [ 0.215828 0.148768 0.065932 ] [ 0.294849 0.987543 0.719792 ] [ 0.71488 0.350344 0.952973 ] [ 0.28512 0.649656 0.047027 ] [ 0.797172 0.18341 0.610089 ] [ 0.705151 0.012457 0.280208 ] [ 0.305537 0.323194 0.392621 ] [ 0.694463 0.676806 0.607379 ] [ 0.202828 0.81659 0.389911 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "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" 4.60509866 "source-unit" "angstrom" } "b" { "source-value" 5.96592961 "source-unit" "angstrom" } "c" { "source-value" 7.55532602 "source-unit" "angstrom" } "alpha" { "source-value" 91.27745659 "source-unit" "degree" } "beta" { "source-value" 90.88274228 "source-unit" "degree" } "gamma" { "source-value" 92.59953134 "source-unit" "degree" } }