{ "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 0 0 ] [ 0 0 0.5 ] [ 0.327849 0.645913 0.764291 ] [ 0.672151 0.354087 0.235709 ] [ 0.635106 0.765447 0.919216 ] [ 0.258178 0.791527 0.601787 ] [ 0.294937 0.334731 0.649895 ] [ 0.868498 0.316365 0.111872 ] [ 0.131502 0.683635 0.888128 ] [ 0.705063 0.665269 0.350105 ] [ 0.741822 0.208473 0.398213 ] [ 0.364894 0.234553 0.080784 ] [ 0.116985 0.942389 0.26478 ] [ 0.883015 0.057611 0.73522 ] ] } "species" { "source-value" [ "Cr" "Cr" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.15174092 "source-unit" "angstrom" } "b" { "source-value" 5.16430125 "source-unit" "angstrom" } "c" { "source-value" 7.29537983 "source-unit" "angstrom" } "alpha" { "source-value" 107.21215094 "source-unit" "degree" } "beta" { "source-value" 109.22434747 "source-unit" "degree" } "gamma" { "source-value" 96.40638073 "source-unit" "degree" } }