{ "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 ] [ 1 0 0.5 ] [ 0.67311 0.35918 0.75496 ] [ 0.32689 0.64082 0.24504 ] [ 0.356182 0.222545 0.914138 ] [ 0.740901 0.22237 0.59785 ] [ 0.692177 0.662595 0.668025 ] [ 0.129986 0.69804 0.11779 ] [ 0.870014 0.30196 0.88221 ] [ 0.307823 0.337405 0.331975 ] [ 0.259099 0.77763 0.40215 ] [ 0.643818 0.777455 0.085862 ] [ 0.88673 0.053706 0.256141 ] [ 0.113269 0.946294 0.743859 ] ] } "species" { "source-value" [ "V" "Cr" "P" "P" "O" "O" "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" 5.10199298 "source-unit" "angstrom" } "b" { "source-value" 5.29158466 "source-unit" "angstrom" } "c" { "source-value" 7.32338008 "source-unit" "angstrom" } "alpha" { "source-value" 109.46877334 "source-unit" "degree" } "beta" { "source-value" 106.66453536 "source-unit" "degree" } "gamma" { "source-value" 96.42381996 "source-unit" "degree" } }