{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.115138 0.321228 0.355277 ] [ 0.397112 0.152132 0.877344 ] [ 0.584819 0.843524 0.117223 ] [ 0.886347 0.680542 0.647694 ] [ 0.000382 0.502509 0.997647 ] [ 0.498066 0.998392 0.500621 ] [ 0.1042 0.743605 0.323974 ] [ 0.37507 0.763318 0.847209 ] [ 0.624607 0.242899 0.154461 ] [ 0.890661 0.255862 0.675944 ] [ 0.955801 0.020926 0.014324 ] [ 0.451962 0.529476 0.398829 ] [ 0.546922 0.479262 0.615288 ] [ 0.117406 0.174285 0.551811 ] [ 0.976353 0.690529 0.171077 ] [ 0.156009 0.647612 0.827449 ] [ 0.249104 0.552238 0.411383 ] [ 0.383785 0.341812 0.05017 ] [ 0.516376 0.193922 0.317564 ] [ 0.253014 0.938508 0.939857 ] [ 0.326255 0.845239 0.294743 ] [ 0.670457 0.153206 0.706239 ] [ 0.754429 0.059201 0.062192 ] [ 0.482891 0.801556 0.678848 ] [ 0.620899 0.653535 0.946392 ] [ 0.746205 0.445818 0.586232 ] [ 0.849046 0.350917 0.171985 ] [ 0.015814 0.310082 0.829429 ] [ 0.879753 0.825962 0.448696 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cr" "Cr" "P" "P" "P" "P" "H" "H" "H" "O" "O" "O" "O" "O" "O" "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" 4.95004812 "source-unit" "angstrom" } "b" { "source-value" 7.69340358 "source-unit" "angstrom" } "c" { "source-value" 8.36833731 "source-unit" "angstrom" } "alpha" { "source-value" 89.31421578 "source-unit" "degree" } "beta" { "source-value" 88.15120981 "source-unit" "degree" } "gamma" { "source-value" 76.1407418 "source-unit" "degree" } }