{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.647013 0.670963 0.838349 ] [ 0.350422 0.316466 0.655933 ] [ 0.672245 0.627027 0.332554 ] [ 0.339723 0.367607 0.171155 ] [ 0.975112 0.015604 0.500317 ] [ 0.994346 0.017249 0.999502 ] [ 0.444163 0.435749 0.363765 ] [ 0.982164 0.355389 0.331562 ] [ 0.651771 0.007614 0.671956 ] [ 0.291656 0.714926 0.997338 ] [ 0.698221 0.309922 0.996322 ] [ 0.033339 0.635672 0.667079 ] [ 0.365944 0.956164 0.338724 ] [ 0.892942 0.895582 0.297522 ] [ 0.227271 0.234667 0.966585 ] [ 0.578739 0.574219 0.624274 ] [ 0.765915 0.774854 0.04251 ] [ 0.089011 0.090328 0.704553 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.72377883 "source-unit" "angstrom" } "b" { "source-value" 5.72996833 "source-unit" "angstrom" } "c" { "source-value" 7.58883878 "source-unit" "angstrom" } "alpha" { "source-value" 70.58339446 "source-unit" "degree" } "beta" { "source-value" 70.44856831 "source-unit" "degree" } "gamma" { "source-value" 70.341243 "source-unit" "degree" } }