{ "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" [ [ 0.675244 0.75189 0.996319 ] [ 0.686232 0.749032 0.500055 ] [ 0.315505 0.738417 0.750509 ] [ 0.321548 0.755101 0.24925 ] [ 0.31034 0.259018 0.258747 ] [ 0.690935 0.245054 0.493711 ] [ 0.7002 0.245206 0.003326 ] [ 0.298481 0.239809 0.72578 ] [ 0.181991 0.996856 0.501426 ] [ 0.194876 0.997015 0.00141 ] [ 0.820138 0.512815 0.251004 ] [ 0.807061 0.498095 0.755483 ] [ 0.884482 0.997525 0.475116 ] [ 0.215009 0.99086 0.664379 ] [ 0.322995 0.817077 0.446108 ] [ 0.303282 0.808962 0.941838 ] [ 0.690129 0.686412 0.700459 ] [ 0.686973 0.692379 0.188612 ] [ 0.764783 0.492507 0.914216 ] [ 0.118226 0.504864 0.222848 ] [ 0.758742 0.495618 0.404257 ] [ 0.11003 0.487439 0.722013 ] [ 0.682963 0.326238 0.185943 ] [ 0.67334 0.314135 0.695294 ] [ 0.316119 0.188768 0.456657 ] [ 0.332825 0.178886 0.926105 ] [ 0.8895 0.010772 0.97005 ] [ 0.249056 0.018622 0.152841 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Cu" "Cu" "P" "P" "P" "P" "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" 6.87973255196 "source-unit" "angstrom" } "b" { "source-value" 5.06133726223 "source-unit" "angstrom" } "c" { "source-value" 9.82622273913 "source-unit" "angstrom" } "alpha" { "source-value" 89.460001892 "source-unit" "degree" } "beta" { "source-value" 89.5995055102 "source-unit" "degree" } "gamma" { "source-value" 89.836368812 "source-unit" "degree" } }