{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P3" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.686389 ] [ 0 0 0.560231 ] [ 0.666667 0.333333 0.747775 ] [ 0.450924 0.074489 0.255719 ] [ 0.039704 0.78672 0.044699 ] [ 0.21328 0.252984 0.044699 ] [ 0.747016 0.960296 0.044699 ] [ 0.623565 0.549076 0.255719 ] [ 0.925511 0.376435 0.255719 ] [ 0 0 0.093977 ] [ 0.869266 0.574557 0.191652 ] [ 0.425443 0.29471 0.191652 ] [ 0.70529 0.130734 0.191652 ] [ 0.291635 0.881993 0.104878 ] [ 0.590358 0.708365 0.104878 ] [ 0.009687 0.72032 0.818041 ] [ 0.27968 0.289367 0.818041 ] [ 0.62385 0.607595 0.48151 ] [ 0.710633 0.990313 0.818041 ] [ 0.392405 0.016256 0.48151 ] [ 0.983744 0.37615 0.48151 ] [ 0.118007 0.409642 0.104878 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Si" "Si" "Si" "Si" "Si" "Si" "N" "N" "N" "N" "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" 7.32366960623 "source-unit" "angstrom" } "c" { "source-value" 6.88519919 "source-unit" "angstrom" } }