{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.163512 0.386212 0.368283 ] [ 0.836488 0.886212 0.131717 ] [ 0.163512 0.113788 0.868283 ] [ 0.836488 0.613788 0.631717 ] [ 0.798823 0.906597 0.630737 ] [ 0.317724 0.837336 0.793281 ] [ 0.309209 0.87492 0.434529 ] [ 0.317724 0.662664 0.293281 ] [ 0.798823 0.593403 0.130737 ] [ 0.690791 0.37492 0.065471 ] [ 0.682276 0.337336 0.706719 ] [ 0.690791 0.12508 0.565471 ] [ 0.201177 0.093403 0.369263 ] [ 0.201177 0.406597 0.869263 ] [ 0.309209 0.62508 0.934529 ] [ 0.682276 0.162664 0.206719 ] [ 0.345439 0.158975 0.226654 ] [ 0.357686 0.116885 0.541226 ] [ 0.23098 0.581341 0.43914 ] [ 0.23098 0.918659 0.93914 ] [ 0.788449 0.220986 0.677877 ] [ 0.642314 0.616885 0.958774 ] [ 0.357686 0.383115 0.041226 ] [ 0.345439 0.341025 0.726654 ] [ 0.76902 0.418659 0.56086 ] [ 0.19355 0.528707 0.822714 ] [ 0.654561 0.841025 0.773346 ] [ 0.146197 0.627677 0.116843 ] [ 0.642314 0.883115 0.458774 ] [ 0.80645 0.471293 0.177286 ] [ 0.80645 0.028707 0.677286 ] [ 0.76902 0.081341 0.06086 ] [ 0.211551 0.720986 0.822123 ] [ 0.853803 0.127677 0.383157 ] [ 0.19355 0.971293 0.322714 ] [ 0.788449 0.279014 0.177877 ] [ 0.654561 0.658975 0.273346 ] [ 0.211551 0.779014 0.322123 ] [ 0.146197 0.872323 0.616843 ] [ 0.853803 0.372323 0.883157 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "B" "B" "B" "B" "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.30268809338 "source-unit" "angstrom" } "b" { "source-value" 11.82212681 "source-unit" "angstrom" } "c" { "source-value" 7.33790087457 "source-unit" "angstrom" } "beta" { "source-value" 91.047958564 "source-unit" "degree" } }