{ "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 0.713801 0.479096 ] [ 0 0.213801 0.020904 ] [ 0 0.286199 0.520904 ] [ 0.5 0.926551 0.120923 ] [ 0 0.786199 0.979096 ] [ 0.5 0.073449 0.879077 ] [ 0.5 0.426551 0.379077 ] [ 0.5 0.573449 0.620923 ] [ 0.247968 0.53636 0.153316 ] [ 0.247968 0.46364 0.846684 ] [ 0.752032 0.53636 0.153316 ] [ 0.247968 0.03636 0.346684 ] [ 0.752032 0.03636 0.346684 ] [ 0.247968 0.96364 0.653316 ] [ 0.752032 0.46364 0.846684 ] [ 0.752032 0.96364 0.653316 ] [ 0.5 0.792941 0.424572 ] [ 0 0.480866 0.313154 ] [ 0.5 0.207059 0.575428 ] [ 0 0.019134 0.813154 ] [ 0 0.519134 0.686846 ] [ 0 0.980866 0.186846 ] [ 0.5 0.707059 0.924572 ] [ 0.5 0.292941 0.075428 ] [ 0.5 0.153939 0.353785 ] [ 0 0.622098 0.107834 ] [ 0 0.030051 0.901131 ] [ 0.796713 0.01575 0.768966 ] [ 0.796713 0.98425 0.231034 ] [ 0.700868 0.357686 0.098267 ] [ 0.700868 0.642314 0.901733 ] [ 0 0.877902 0.607834 ] [ 0.796713 0.51575 0.731034 ] [ 0.203287 0.01575 0.768966 ] [ 0 0.969949 0.098869 ] [ 0.299132 0.642314 0.901733 ] [ 0.299132 0.857686 0.401733 ] [ 0.5 0.346061 0.853785 ] [ 0.203287 0.98425 0.231034 ] [ 0.796713 0.48425 0.268966 ] [ 0 0.469949 0.401131 ] [ 0.5 0.339344 0.533227 ] [ 0.700868 0.142314 0.598267 ] [ 0.700868 0.857686 0.401733 ] [ 0.5 0.160656 0.033227 ] [ 0 0.530051 0.598869 ] [ 0.5 0.660656 0.466773 ] [ 0.299132 0.142314 0.598267 ] [ 0.203287 0.48425 0.268966 ] [ 0 0.122098 0.392166 ] [ 0 0.377902 0.892166 ] [ 0.5 0.846061 0.646215 ] [ 0.5 0.653939 0.146215 ] [ 0.5 0.839344 0.966773 ] [ 0.299132 0.357686 0.098267 ] [ 0.203287 0.51575 0.731034 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "B" "B" "B" "B" "B" "B" "B" "B" "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" 5.9845891 "source-unit" "angstrom" } "b" { "source-value" 9.12746635 "source-unit" "angstrom" } "c" { "source-value" 15.56912644 "source-unit" "angstrom" } }