{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.247171 0.487157 0.224251 ] [ 0.247171 0.012843 0.224251 ] [ 0.752829 0.512843 0.775749 ] [ 0.752829 0.987157 0.775749 ] [ 0.779097 0.75 0.365862 ] [ 0.220903 0.25 0.634138 ] [ 0.71237 0.25 0.431493 ] [ 0.28763 0.75 0.568507 ] [ 0.728879 0.75 0.094417 ] [ 0.271121 0.25 0.905583 ] [ 0.30169 0.25 0.031386 ] [ 0.933483 0.75 0.155257 ] [ 0.555072 0.75 0.178122 ] [ 0.766421 0.068329 0.351316 ] [ 0.766421 0.431671 0.351316 ] [ 0.14109 0.75 0.433648 ] [ 0.451294 0.25 0.465 ] [ 0.548706 0.75 0.535 ] [ 0.85891 0.25 0.566352 ] [ 0.233579 0.568329 0.648684 ] [ 0.233579 0.931671 0.648684 ] [ 0.444928 0.25 0.821878 ] [ 0.066517 0.25 0.844743 ] [ 0.69831 0.75 0.968614 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Tm" "Tm" "P" "P" "C" "C" "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" 5.82182581 "source-unit" "angstrom" } "b" { "source-value" 7.07282021 "source-unit" "angstrom" } "c" { "source-value" 9.95060342 "source-unit" "angstrom" } "beta" { "source-value" 91.78356735 "source-unit" "degree" } }