{ "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" [ [ 0.425137 0.352994 0.761965 ] [ 0.574863 0.647006 0.238035 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0.278324 0.69791 0.11567 ] [ 0.739602 0.743472 0.100832 ] [ 0.653555 0.794295 0.384493 ] [ 0.635637 0.346053 0.349766 ] [ 0.260398 0.256528 0.899168 ] [ 0.346445 0.205705 0.615507 ] [ 0.364363 0.653947 0.650234 ] [ 0.721676 0.30209 0.88433 ] [ 0.146691 0.064101 0.264799 ] [ 0.853309 0.935899 0.735201 ] ] } "species" { "source-value" [ "P" "P" "W" "W" "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" 5.38506818564 "source-unit" "angstrom" } "b" { "source-value" 5.381586609 "source-unit" "angstrom" } "c" { "source-value" 7.72598663298 "source-unit" "angstrom" } "alpha" { "source-value" 109.043887428 "source-unit" "degree" } "beta" { "source-value" 106.323286269 "source-unit" "degree" } "gamma" { "source-value" 94.9753870583 "source-unit" "degree" } }