{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.868471 0.289392 0.927888 ] [ 0.600484 0.287393 0.579426 ] [ 0.368471 0.710608 0.427888 ] [ 0.100484 0.712607 0.079426 ] [ 0.598165 0.806454 0.922135 ] [ 0.411458 0.52042 0.846983 ] [ 0.733767 0.011584 0.751704 ] [ 0.12899 0.532051 0.64593 ] [ 0.88237 0.802777 0.586457 ] [ 0.098165 0.193546 0.422135 ] [ 0.911458 0.47958 0.346983 ] [ 0.233767 0.988416 0.251704 ] [ 0.62899 0.467949 0.14593 ] [ 0.38237 0.197223 0.086457 ] [ 0.372515 0.832723 0.98588 ] [ 0.845004 0.831451 0.96987 ] [ 0.207182 0.505848 0.925116 ] [ 0.600022 0.645043 0.87715 ] [ 0.897542 0.094565 0.826422 ] [ 0.565246 0.388408 0.825272 ] [ 0.56912 0.897968 0.814511 ] [ 0.311796 0.587876 0.737348 ] [ 0.916979 0.912712 0.682742 ] [ 0.024578 0.389716 0.67178 ] [ 0.562732 0.090298 0.679556 ] [ 0.916978 0.652331 0.647119 ] [ 0.268938 0.546121 0.543163 ] [ 0.088049 0.82851 0.509884 ] [ 0.624339 0.809255 0.544601 ] [ 0.345004 0.168549 0.46987 ] [ 0.872515 0.167277 0.48588 ] [ 0.707182 0.494152 0.425116 ] [ 0.100022 0.354957 0.37715 ] [ 0.397542 0.905435 0.326422 ] [ 0.065246 0.611592 0.325272 ] [ 0.06912 0.102032 0.314511 ] [ 0.811796 0.412124 0.237348 ] [ 0.416979 0.087288 0.182742 ] [ 0.524578 0.610284 0.17178 ] [ 0.062732 0.909702 0.179556 ] [ 0.416978 0.347669 0.147119 ] [ 0.768938 0.453879 0.043163 ] [ 0.124339 0.190745 0.044601 ] [ 0.588049 0.17149 0.009884 ] ] } "species" { "source-value" [ "Sn" "Sn" "Sn" "Sn" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "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" 5.4793607048 "source-unit" "angstrom" } "b" { "source-value" 9.35063527 "source-unit" "angstrom" } "c" { "source-value" 12.6545896298 "source-unit" "angstrom" } "beta" { "source-value" 90.4691578571 "source-unit" "degree" } }