{ "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 0 0.5 ] [ 0 0 0 ] [ 0.674317 0.346519 0.228852 ] [ 0.325683 0.653481 0.771148 ] [ 0.350889 0.021141 0.331617 ] [ 0.649111 0.978859 0.668383 ] [ 0.86073 0.032962 0.72437 ] [ 0.713827 0.187946 0.383571 ] [ 0.285314 0.342863 0.652426 ] [ 0.368689 0.234634 0.06587 ] [ 0.88663 0.320424 0.118411 ] [ 0.11337 0.679576 0.881589 ] [ 0.631311 0.765366 0.93413 ] [ 0.714686 0.657137 0.347574 ] [ 0.286173 0.812054 0.616429 ] [ 0.13927 0.967038 0.27563 ] ] } "species" { "source-value" [ "Cr" "Cr" "P" "P" "H" "H" "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" 5.14377062 "source-unit" "angstrom" } "b" { "source-value" 5.21479835 "source-unit" "angstrom" } "c" { "source-value" 7.25486574 "source-unit" "angstrom" } "alpha" { "source-value" 106.57531295 "source-unit" "degree" } "beta" { "source-value" 108.60819767 "source-unit" "degree" } "gamma" { "source-value" 98.60891875 "source-unit" "degree" } }