{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0.856431 0.143569 0 ] [ 0.356431 0.356431 0.5 ] [ 0.643569 0.643569 0.5 ] [ 0.143569 0.856431 0 ] [ 0.732805 0.732805 0 ] [ 0.767195 0.232805 0.5 ] [ 0.232805 0.767195 0.5 ] [ 0.267195 0.267195 0 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0.884104 ] [ 0 0 0.384104 ] [ 0 0 0.615896 ] [ 0.5 0.5 0.115896 ] [ 0.682855 0.682855 0.754141 ] [ 0.317145 0.317145 0.754141 ] [ 0.682855 0.682855 0.245859 ] [ 0.182855 0.817145 0.254141 ] [ 0.817145 0.182855 0.254141 ] [ 0.817145 0.182855 0.745859 ] [ 0.182855 0.817145 0.745859 ] [ 0.317145 0.317145 0.245859 ] [ 0.902677 0.902677 0.79959 ] [ 0.097323 0.097323 0.79959 ] [ 0.902677 0.902677 0.20041 ] [ 0.402677 0.597323 0.29959 ] [ 0.597323 0.402677 0.29959 ] [ 0.597323 0.402677 0.70041 ] [ 0.402677 0.597323 0.70041 ] [ 0.097323 0.097323 0.20041 ] [ 0.358864 0.03704 0.174709 ] [ 0.641136 0.96296 0.174709 ] [ 0.03704 0.358864 0.825291 ] [ 0.53704 0.141136 0.674709 ] [ 0.46296 0.858864 0.674709 ] [ 0.141136 0.53704 0.325291 ] [ 0.858864 0.46296 0.325291 ] [ 0.96296 0.641136 0.825291 ] [ 0.641136 0.96296 0.825291 ] [ 0.358864 0.03704 0.825291 ] [ 0.96296 0.641136 0.174709 ] [ 0.46296 0.858864 0.325291 ] [ 0.53704 0.141136 0.325291 ] [ 0.858864 0.46296 0.674709 ] [ 0.141136 0.53704 0.674709 ] [ 0.03704 0.358864 0.174709 ] [ 0.566244 0.224482 0.126222 ] [ 0.433756 0.775518 0.126222 ] [ 0.224482 0.566244 0.873778 ] [ 0.724482 0.933756 0.626222 ] [ 0.275518 0.066244 0.626222 ] [ 0.933756 0.724482 0.373778 ] [ 0.066244 0.275518 0.373778 ] [ 0.775518 0.433756 0.873778 ] [ 0.433756 0.775518 0.873778 ] [ 0.566244 0.224482 0.873778 ] [ 0.775518 0.433756 0.126222 ] [ 0.275518 0.066244 0.373778 ] [ 0.724482 0.933756 0.373778 ] [ 0.066244 0.275518 0.626222 ] [ 0.933756 0.724482 0.626222 ] [ 0.224482 0.566244 0.126222 ] [ 0.624535 0.375465 0 ] [ 0.124535 0.124535 0.5 ] [ 0.875465 0.875465 0.5 ] [ 0.375465 0.624535 0 ] ] } "species" { "source-value" [ "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.7300483 "source-unit" "angstrom" } "c" { "source-value" 11.89953841 "source-unit" "angstrom" } }