{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0 0.823262 0.085424 ] [ 0 0.176738 0.914576 ] [ 0 0.323262 0.414576 ] [ 0 0.676738 0.585424 ] [ 0 0.44327 0.129324 ] [ 0 0.55673 0.870676 ] [ 0 0.94327 0.370676 ] [ 0 0.05673 0.629324 ] [ 0 0.138717 0.179224 ] [ 0 0.861283 0.820776 ] [ 0 0.638717 0.320776 ] [ 0 0.361283 0.679224 ] [ 0.5 0.054216 0.067146 ] [ 0.5 0.945784 0.932854 ] [ 0.5 0.554216 0.432854 ] [ 0.5 0.445784 0.567146 ] [ 0.5 0.247576 0.081042 ] [ 0.5 0.752424 0.918958 ] [ 0.5 0.747576 0.418958 ] [ 0.5 0.252424 0.581042 ] [ 0.5 0.291074 0.234279 ] [ 0.5 0.708926 0.765721 ] [ 0.5 0.791074 0.265721 ] [ 0.5 0.208926 0.734279 ] [ 0.5 0.132225 0.314629 ] [ 0.5 0.867775 0.685371 ] [ 0.5 0.632225 0.185371 ] [ 0.5 0.367775 0.814629 ] [ 0.5 0.484937 0.288317 ] [ 0.5 0.515063 0.711683 ] [ 0.5 0.984937 0.211683 ] [ 0.5 0.015063 0.788317 ] [ 0.5 0.106806 0.470643 ] [ 0.5 0.893194 0.529357 ] [ 0.5 0.606806 0.029357 ] [ 0.5 0.393194 0.970643 ] ] } "species" { "source-value" [ "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Fe" "Fe" "Fe" "Fe" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "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" 3.47444054 "source-unit" "angstrom" } "b" { "source-value" 8.9684825 "source-unit" "angstrom" } "c" { "source-value" 11.31674602 "source-unit" "angstrom" } }