{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.689078 0.75 ] [ 0 0.310922 0.25 ] [ 0.688229 0.24847 0.844662 ] [ 0.311771 0.24847 0.655338 ] [ 0.311771 0.75153 0.155338 ] [ 0.688229 0.75153 0.344662 ] [ 0.56487 0.75249 0.948449 ] [ 0.56487 0.24751 0.448449 ] [ 0.43513 0.24751 0.051551 ] [ 0.43513 0.75249 0.551551 ] [ 0.5 0.956928 0.75 ] [ 0.5 0.043072 0.25 ] [ 0.665332 0.095234 0.031478 ] [ 0.334668 0.095234 0.468522 ] [ 0.334668 0.904766 0.968522 ] [ 0.665332 0.904766 0.531478 ] [ 0.576277 0.57804 0.14227 ] [ 0.423723 0.57804 0.35773 ] [ 0.423723 0.42196 0.85773 ] [ 0.576277 0.42196 0.64227 ] [ 0.887059 0.853767 0.343002 ] [ 0.112941 0.853767 0.156998 ] [ 0.112941 0.146233 0.656998 ] [ 0.887059 0.146233 0.843002 ] [ 0.76116 0.594164 0.939955 ] [ 0.23884 0.405836 0.060045 ] [ 0.23884 0.594164 0.560045 ] [ 0.76116 0.405836 0.439955 ] ] } "species" { "source-value" [ "Ba" "Ba" "V" "V" "V" "V" "V" "V" "V" "V" "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" 7.93985379185 "source-unit" "angstrom" } "b" { "source-value" 5.09330014 "source-unit" "angstrom" } "c" { "source-value" 9.45394352142 "source-unit" "angstrom" } "beta" { "source-value" 110.466715309 "source-unit" "degree" } }