{ "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" [ [ 0.251332 0.376725 0.144112 ] [ 0.748668 0.623275 0.855888 ] [ 0.286472 0.866748 0.314489 ] [ 0.713528 0.133252 0.685511 ] [ 0.291122 0.148597 0.248704 ] [ 0.708878 0.851403 0.751296 ] [ 0.131084 0.729774 0.932394 ] [ 0.225588 0.434318 0.374505 ] [ 0.868916 0.270226 0.067606 ] [ 0.355361 0.417747 0.868469 ] [ 0.774412 0.565682 0.625495 ] [ 0.644639 0.582253 0.131531 ] ] } "species" { "source-value" [ "V" "V" "I" "I" "N" "N" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.0844028776 "source-unit" "angstrom" } "b" { "source-value" 7.70580248816 "source-unit" "angstrom" } "c" { "source-value" 8.58777689053 "source-unit" "angstrom" } "alpha" { "source-value" 116.41671434 "source-unit" "degree" } "beta" { "source-value" 85.980727598 "source-unit" "degree" } "gamma" { "source-value" 107.781177319 "source-unit" "degree" } }