{ "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" [ [ 0.385246 0.498426 0.719716 ] [ 0.614754 0.501574 0.280284 ] [ 0.238202 0.72269 0.649323 ] [ 0.770232 0.715122 0.458211 ] [ 0.761798 0.27731 0.350677 ] [ 0.389901 0.261083 0.174709 ] [ 0.610099 0.738917 0.825291 ] [ 0.44901 0.731092 0.254575 ] [ 0.229768 0.284878 0.541789 ] [ 0.993663 0.73986 0.076365 ] [ 0.006337 0.26014 0.923635 ] [ 0.55099 0.268908 0.745425 ] ] } "species" { "source-value" [ "Nb" "Nb" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.96443802137 "source-unit" "angstrom" } "b" { "source-value" 7.54283334632 "source-unit" "angstrom" } "c" { "source-value" 10.1195121813 "source-unit" "angstrom" } "alpha" { "source-value" 109.930796256 "source-unit" "degree" } "beta" { "source-value" 91.1254036044 "source-unit" "degree" } "gamma" { "source-value" 115.974324373 "source-unit" "degree" } }