{ "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" [ [ 0.373697 0.078547 0.823339 ] [ 0.626303 0.921453 0.176661 ] [ 0.126303 0.578547 0.676661 ] [ 0.873697 0.421453 0.323339 ] [ 0.215576 0.351665 0.028706 ] [ 0.784424 0.648335 0.971294 ] [ 0.284424 0.851665 0.471294 ] [ 0.715576 0.148335 0.528706 ] [ 0.883066 0.904624 0.824523 ] [ 0.116934 0.095376 0.175477 ] [ 0.383066 0.595376 0.324523 ] [ 0.616934 0.404624 0.675477 ] [ 0.423798 0.927988 0.671821 ] [ 0.970424 0.068192 0.673934 ] [ 0.514428 0.824996 0.363174 ] [ 0.244271 0.473101 0.485482 ] [ 0.191005 0.714198 0.515602 ] [ 0.691005 0.785802 0.015602 ] [ 0.470424 0.431808 0.173934 ] [ 0.529576 0.568192 0.826066 ] [ 0.755729 0.526899 0.514518 ] [ 0.076202 0.427988 0.828179 ] [ 0.808995 0.285802 0.484398 ] [ 0.576202 0.072012 0.328179 ] [ 0.923798 0.572012 0.171821 ] [ 0.308995 0.214198 0.984398 ] [ 0.255729 0.973101 0.014518 ] [ 0.744271 0.026899 0.985482 ] [ 0.485572 0.175004 0.636826 ] [ 0.029576 0.931808 0.326066 ] [ 0.985572 0.324996 0.136826 ] [ 0.014428 0.675004 0.863174 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "V" "V" "V" "V" "Bi" "Bi" "Bi" "Bi" "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" 5.40021515672 "source-unit" "angstrom" } "b" { "source-value" 11.71388554 "source-unit" "angstrom" } "c" { "source-value" 7.73338564838 "source-unit" "angstrom" } "beta" { "source-value" 107.336898923 "source-unit" "degree" } }