{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mbc" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.25 ] [ 0 0.5 0.75 ] [ 0.5 0 0.75 ] [ 0 0.5 0.25 ] [ 0.835148 0.827864 0 ] [ 0.827864 0.164852 0.5 ] [ 0.172136 0.835148 0.5 ] [ 0.164852 0.172136 0 ] [ 0.335148 0.672136 0 ] [ 0.664852 0.327864 0 ] [ 0.672136 0.664852 0.5 ] [ 0.327864 0.335148 0.5 ] [ 0.402553 0.862752 0.5 ] [ 0.597447 0.137248 0.5 ] [ 0.137248 0.402553 0 ] [ 0.862752 0.597447 0 ] [ 0.362752 0.902553 0 ] [ 0.902553 0.637248 0.5 ] [ 0.097447 0.362752 0.5 ] [ 0.637248 0.097447 0 ] [ 0.1765 0.6765 0.75 ] [ 0.6765 0.8235 0.25 ] [ 0.3235 0.1765 0.25 ] [ 0.8235 0.3235 0.75 ] [ 0.1765 0.6765 0.25 ] [ 0.6765 0.8235 0.75 ] [ 0.3235 0.1765 0.75 ] [ 0.8235 0.3235 0.25 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "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" 8.47757709 "source-unit" "angstrom" } "c" { "source-value" 6.05662956 "source-unit" "angstrom" } }