{ "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" [ [ 0.139918 0.140236 0.82379 ] [ 0.860082 0.859764 0.17621 ] [ 0.860082 0.640236 0.67621 ] [ 0.139918 0.359764 0.32379 ] [ 0.64937 0.381377 0.210787 ] [ 0.35063 0.618623 0.789213 ] [ 0.35063 0.881377 0.289213 ] [ 0.64937 0.118623 0.710787 ] [ 0.174239 0.694447 0.279909 ] [ 0.4853 0.185993 0.860159 ] [ 0.173265 0.468351 0.647908 ] [ 0.4853 0.314007 0.360159 ] [ 0.825761 0.194447 0.220091 ] [ 0.174239 0.805553 0.779909 ] [ 0.5147 0.685993 0.639841 ] [ 0.5147 0.814007 0.139841 ] [ 0.825761 0.305553 0.720091 ] [ 0.173265 0.031649 0.147908 ] [ 0.826735 0.968351 0.852092 ] [ 0.826735 0.531649 0.352092 ] [ 0.832324 0.618528 0.974909 ] [ 0.167676 0.381472 0.025091 ] [ 0.167676 0.118528 0.525091 ] [ 0.832324 0.881472 0.474909 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Se" "Se" "Se" "Se" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.63988470721 "source-unit" "angstrom" } "b" { "source-value" 6.96448838 "source-unit" "angstrom" } "c" { "source-value" 7.24065470147 "source-unit" "angstrom" } "beta" { "source-value" 98.5586950291 "source-unit" "degree" } }