{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmn2_1" } "basis-atom-coordinates" { "source-value" [ [ 0 0.976307 0.529688 ] [ 0 0.925189 0.751402 ] [ 0 0.43057 0.664695 ] [ 0 0.435097 0.841859 ] [ 0 0.870723 0.967636 ] [ 0.5 0.370723 0.032364 ] [ 0.5 0.935097 0.158141 ] [ 0.5 0.425189 0.248598 ] [ 0.5 0.93057 0.335305 ] [ 0.5 0.476307 0.470312 ] [ 0 0.900481 0.072957 ] [ 0 0.425136 0.159335 ] [ 0 0.925839 0.248066 ] [ 0 0.954927 0.423484 ] [ 0 0.435618 0.338033 ] [ 0.5 0.454927 0.576516 ] [ 0.5 0.935618 0.661967 ] [ 0.5 0.425839 0.751934 ] [ 0.5 0.925136 0.840665 ] [ 0.5 0.400481 0.927043 ] [ 0 0.636726 0.04017 ] [ 0 0.721068 0.12899 ] [ 0 0.119867 0.029792 ] [ 0 0.200856 0.117449 ] [ 0 0.637539 0.212915 ] [ 0 0.70315 0.296595 ] [ 0 0.1455 0.20068 ] [ 0 0.671775 0.381048 ] [ 0 0.205458 0.286604 ] [ 0 0.735564 0.466545 ] [ 0 0.135204 0.370442 ] [ 0 0.214543 0.458216 ] [ 0 0.925551 0.666107 ] [ 0 0.933386 0.8344 ] [ 0 0.426326 0.75157 ] [ 0 0.426971 0.919655 ] [ 0.5 0.926971 0.080345 ] [ 0.5 0.433386 0.1656 ] [ 0.5 0.926326 0.24843 ] [ 0.5 0.425551 0.333893 ] [ 0.5 0.714543 0.541784 ] [ 0.5 0.235564 0.533455 ] [ 0.5 0.705458 0.713396 ] [ 0.5 0.171775 0.618952 ] [ 0.5 0.635204 0.629558 ] [ 0.5 0.20315 0.703405 ] [ 0.5 0.137539 0.787085 ] [ 0.5 0.6455 0.79932 ] [ 0.5 0.700856 0.882551 ] [ 0.5 0.221068 0.87101 ] [ 0.5 0.619867 0.970208 ] [ 0.5 0.136726 0.95983 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "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" 4.04835243 "source-unit" "angstrom" } "b" { "source-value" 5.74999858 "source-unit" "angstrom" } "c" { "source-value" 33.20085272 "source-unit" "angstrom" } }