{ "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" [ [ 0.861905 0.859011 0.175339 ] [ 0.138095 0.140989 0.824661 ] [ 0.861905 0.640989 0.675339 ] [ 0.138095 0.359011 0.324661 ] [ 0.351513 0.880444 0.28976 ] [ 0.351513 0.619556 0.78976 ] [ 0.648487 0.119556 0.71024 ] [ 0.648487 0.380444 0.21024 ] [ 0.172103 0.469515 0.647299 ] [ 0.827897 0.530485 0.352701 ] [ 0.826016 0.192285 0.220855 ] [ 0.826016 0.307715 0.720855 ] [ 0.518242 0.813928 0.138916 ] [ 0.172103 0.030485 0.147299 ] [ 0.173984 0.692285 0.279145 ] [ 0.518242 0.686072 0.638916 ] [ 0.827897 0.969515 0.852701 ] [ 0.481758 0.186072 0.861084 ] [ 0.481758 0.313928 0.361084 ] [ 0.173984 0.807715 0.779145 ] [ 0.83472 0.620436 0.973766 ] [ 0.16528 0.379564 0.026234 ] [ 0.16528 0.120436 0.526234 ] [ 0.83472 0.879564 0.473766 ] ] } "species" { "source-value" [ "Tm" "Tm" "Tm" "Tm" "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" 6.58846400023 "source-unit" "angstrom" } "b" { "source-value" 6.92551036 "source-unit" "angstrom" } "c" { "source-value" 7.16186426801 "source-unit" "angstrom" } "beta" { "source-value" 98.3204173956 "source-unit" "degree" } }