{ "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" [ [ 0.872119 0.263748 0.295814 ] [ 0.127881 0.736252 0.704186 ] [ 0.291602 0.855556 0.215765 ] [ 0.708398 0.144444 0.784235 ] [ 0.802668 0.891047 0.753608 ] [ 0.600287 0.922605 0.290613 ] [ 0.249294 0.69027 0.98136 ] [ 0.127469 0.649094 0.368606 ] [ 0.750706 0.30973 0.01864 ] [ 0.197332 0.108953 0.246392 ] [ 0.872531 0.350906 0.631394 ] [ 0.399713 0.077395 0.709387 ] ] } "species" { "source-value" [ "Mn" "Mn" "P" "P" "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" 5.08789601422 "source-unit" "angstrom" } "b" { "source-value" 5.1997330793 "source-unit" "angstrom" } "c" { "source-value" 6.22037272545 "source-unit" "angstrom" } "alpha" { "source-value" 99.9088211691 "source-unit" "degree" } "beta" { "source-value" 89.7123123159 "source-unit" "degree" } "gamma" { "source-value" 107.053339113 "source-unit" "degree" } }