{ "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" [ [ 0.460395 0.368427 0.244569 ] [ 0.539605 0.631573 0.755431 ] [ 0.680229 0.858541 0.272264 ] [ 0.319771 0.141459 0.727736 ] [ 0.600655 0.674992 0.079392 ] [ 0.403785 0.022097 0.234412 ] [ 0.512228 0.679136 0.431004 ] [ 0.399345 0.325008 0.920608 ] [ 0.596215 0.977903 0.765588 ] [ 0.487772 0.320864 0.568995 ] [ 0.959624 0.350518 0.254954 ] [ 0.040376 0.649482 0.745046 ] ] } "species" { "source-value" [ "Lu" "Lu" "Se" "Se" "O" "O" "O" "O" "O" "O" "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" 4.29284809575 "source-unit" "angstrom" } "b" { "source-value" 6.50545765743 "source-unit" "angstrom" } "c" { "source-value" 6.9000863163 "source-unit" "angstrom" } "alpha" { "source-value" 91.8346877907 "source-unit" "degree" } "beta" { "source-value" 93.7907984068 "source-unit" "degree" } "gamma" { "source-value" 96.6350553524 "source-unit" "degree" } }