{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.866714 0.184863 0.241767 ] [ 0.133286 0.815137 0.758233 ] [ 0 0 0 ] [ 0.026668 0.428838 0.188502 ] [ 0.641673 0.232326 0.134351 ] [ 0.225625 0.68579 0.593366 ] [ 0.973332 0.571162 0.811498 ] [ 0.358327 0.767674 0.865649 ] [ 0.72748 0.911596 0.258527 ] [ 0.108976 0.112083 0.318141 ] [ 0.774375 0.31421 0.406634 ] [ 0.27252 0.088404 0.741473 ] [ 0.891024 0.887917 0.681859 ] [ 0.498847 0.262362 0.069987 ] [ 0.123227 0.584665 0.15735 ] [ 0.359112 0.257886 0.728598 ] [ 0.876773 0.415335 0.84265 ] [ 0.258551 0.068807 0.368588 ] [ 0.741449 0.931193 0.631412 ] [ 0.501153 0.737638 0.930013 ] [ 0.719149 0.399393 0.512382 ] [ 0.280851 0.600607 0.487618 ] [ 0.640888 0.742114 0.271402 ] ] } "species" { "source-value" [ "Mn" "Mn" "Hg" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "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" 6.38153696186 "source-unit" "angstrom" } "b" { "source-value" 6.38258790788 "source-unit" "angstrom" } "c" { "source-value" 9.58827185023 "source-unit" "angstrom" } "alpha" { "source-value" 97.2498714743 "source-unit" "degree" } "beta" { "source-value" 89.3052920756 "source-unit" "degree" } "gamma" { "source-value" 98.4139118839 "source-unit" "degree" } }