{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/m" } "basis-atom-coordinates" { "source-value" [ [ 0.216869 0.277755 0.75 ] [ 0.722245 0.939114 0.75 ] [ 0.783131 0.722245 0.25 ] [ 0.939114 0.216869 0.25 ] [ 0.060886 0.783131 0.75 ] [ 0.277755 0.060886 0.25 ] [ 0.666667 0.333333 0.520551 ] [ 0.666667 0.333333 0.979449 ] [ 0.333333 0.666667 0.020551 ] [ 0.333333 0.666667 0.479449 ] [ 0.19292 0.24582 0.25 ] [ 0.587139 0.928324 0.610381 ] [ 0.341185 0.412861 0.889619 ] [ 0.947101 0.19292 0.75 ] [ 0.052899 0.80708 0.25 ] [ 0.928324 0.341185 0.389619 ] [ 0.928324 0.341185 0.110381 ] [ 0.24582 0.052899 0.75 ] [ 0.80708 0.75418 0.75 ] [ 0.071676 0.658815 0.610381 ] [ 0.412861 0.071676 0.389619 ] [ 0.071676 0.658815 0.889619 ] [ 0.658815 0.587139 0.110381 ] [ 0.658815 0.587139 0.389619 ] [ 0.75418 0.947101 0.25 ] [ 0.412861 0.071676 0.110381 ] [ 0.341185 0.412861 0.610381 ] [ 0.587139 0.928324 0.889619 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Bi" "Bi" "Bi" "Bi" "O" "O" "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" 6.89854012698 "source-unit" "angstrom" } "c" { "source-value" 9.75470595 "source-unit" "angstrom" } }