{ "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" [ [ 0.285397 0.622608 0.051813 ] [ 0.714603 0.377392 0.948187 ] [ 0.884205 0.749564 0.361197 ] [ 0.115795 0.250436 0.638803 ] [ 0 0 0 ] [ 0.551749 0.842296 0.713399 ] [ 0.448251 0.157704 0.286601 ] [ 0.953469 0.681943 0.115225 ] [ 0.046531 0.318057 0.884775 ] [ 0.492501 0.102839 0.763449 ] [ 0.507499 0.897161 0.236551 ] [ 0.625662 0.750688 0.886798 ] [ 0.374338 0.249312 0.113202 ] [ 0.306543 0.620124 0.61456 ] [ 0.19062 0.098423 0.399105 ] [ 0.80938 0.901577 0.600895 ] [ 0.693457 0.379876 0.38544 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "P" "P" "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" 5.34238651845 "source-unit" "angstrom" } "b" { "source-value" 5.36416275385 "source-unit" "angstrom" } "c" { "source-value" 7.7299399389 "source-unit" "angstrom" } "alpha" { "source-value" 97.6513218164 "source-unit" "degree" } "beta" { "source-value" 89.1962069253 "source-unit" "degree" } "gamma" { "source-value" 112.431781736 "source-unit" "degree" } }