{ "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" [ [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.509366 0.017986 0.738648 ] [ 0.490634 0.982014 0.261352 ] [ 0.993096 0.516724 0.240445 ] [ 0.006904 0.483276 0.759555 ] [ 0.122933 0.350437 0.611808 ] [ 0.165548 0.602496 0.894205 ] [ 0.221084 0.996557 0.27668 ] [ 0.265892 0.500984 0.228666 ] [ 0.34598 0.878173 0.618694 ] [ 0.402514 0.173984 0.880977 ] [ 0.597486 0.826016 0.119023 ] [ 0.65402 0.121827 0.381306 ] [ 0.734108 0.499016 0.771334 ] [ 0.778916 0.003443 0.72332 ] [ 0.834452 0.397504 0.105795 ] [ 0.877067 0.649563 0.388192 ] ] } "species" { "source-value" [ "Li" "V" "V" "C" "C" "C" "C" "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" 4.74576112 "source-unit" "angstrom" } "b" { "source-value" 5.88158611 "source-unit" "angstrom" } "c" { "source-value" 7.54242858 "source-unit" "angstrom" } "alpha" { "source-value" 106.40597796 "source-unit" "degree" } "beta" { "source-value" 90.1731561 "source-unit" "degree" } "gamma" { "source-value" 90.38859639 "source-unit" "degree" } }