{ "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" [ [ 0.780592 0.490215 0.905032 ] [ 0.578043 0.813701 0.249768 ] [ 0.247497 0.605193 0.65477 ] [ 0.02359 0.002585 0.003473 ] [ 0.245662 0.069052 0.586827 ] [ 0.633799 0.382411 0.33286 ] [ 0.359838 0.309003 0.74468 ] [ 0.46171 0.961716 0.574548 ] [ 0.170757 0.71994 0.983553 ] [ 0.054974 0.051725 0.356156 ] [ 0.801733 0.492047 0.230626 ] [ 0.656443 0.753523 0.934616 ] [ 0.805645 0.412578 0.573042 ] [ 0.502367 0.133615 0.191181 ] [ 0.406298 0.4858 0.327058 ] [ 0.067453 0.927317 0.663908 ] ] } "species" { "source-value" [ "Li" "Bi" "Bi" "Bi" "P" "P" "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" 5.65129879164 "source-unit" "angstrom" } "b" { "source-value" 6.74580571356 "source-unit" "angstrom" } "c" { "source-value" 6.87825716915 "source-unit" "angstrom" } "alpha" { "source-value" 106.286490184 "source-unit" "degree" } "beta" { "source-value" 108.87105813 "source-unit" "degree" } "gamma" { "source-value" 100.506242427 "source-unit" "degree" } }