{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-42m" } "basis-atom-coordinates" { "source-value" [ [ 0.295006 0.937182 0.181789 ] [ 0.704994 0.062818 0.181789 ] [ 0.937182 0.295006 0.181789 ] [ 0.062818 0.295006 0.818211 ] [ 0.937182 0.704994 0.818211 ] [ 0.062818 0.704994 0.181789 ] [ 0.295006 0.062818 0.818211 ] [ 0.704994 0.937182 0.818211 ] [ 0.795006 0.437182 0.681789 ] [ 0.204994 0.562818 0.681789 ] [ 0.437182 0.795006 0.681789 ] [ 0.562818 0.795006 0.318211 ] [ 0.437182 0.204994 0.318211 ] [ 0.562818 0.204994 0.681789 ] [ 0.795006 0.562818 0.318211 ] [ 0.204994 0.437182 0.318211 ] [ 0 0.283234 0 ] [ 0.854989 0.145011 0.22909 ] [ 0.93024 0.322616 0.691947 ] [ 0 0.716766 0 ] [ 0.145011 0.854989 0.22909 ] [ 0.677384 0.93024 0.308053 ] [ 0.93024 0.677384 0.308053 ] [ 0.854989 0.854989 0.77091 ] [ 0.56976 0.177384 0.191947 ] [ 0.716766 0 0 ] [ 0.322616 0.93024 0.691947 ] [ 0.56976 0.822616 0.808053 ] [ 0.283234 0 0 ] [ 0.822616 0.56976 0.808053 ] [ 0.145011 0.145011 0.77091 ] [ 0.177384 0.56976 0.191947 ] [ 0.5 0.783234 0.5 ] [ 0.354989 0.645011 0.72909 ] [ 0.43024 0.822616 0.191947 ] [ 0.5 0.216766 0.5 ] [ 0.645011 0.354989 0.72909 ] [ 0.177384 0.43024 0.808053 ] [ 0.43024 0.177384 0.808053 ] [ 0.354989 0.354989 0.27091 ] [ 0.06976 0.677384 0.691947 ] [ 0.216766 0.5 0.5 ] [ 0.822616 0.43024 0.191947 ] [ 0.06976 0.322616 0.308053 ] [ 0.783234 0.5 0.5 ] [ 0.322616 0.06976 0.308053 ] [ 0.645011 0.645011 0.27091 ] [ 0.677384 0.06976 0.691947 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 9.2377888859 "source-unit" "angstrom" } "c" { "source-value" 8.30131684281 "source-unit" "angstrom" } }