{ "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" [ [ 0.248786 0.005394 0.136684 ] [ 0.751214 0.994606 0.863316 ] [ 0.220655 0.299994 0.801082 ] [ 0.22757 0.731509 0.418433 ] [ 0.779345 0.700006 0.198918 ] [ 0.77243 0.268491 0.581567 ] [ 0.941661 0.642221 0.350107 ] [ 0.655126 0.103813 0.692127 ] [ 0.344874 0.896187 0.307873 ] [ 0.927238 0.872119 0.106501 ] [ 0.058339 0.357779 0.649893 ] [ 0.072762 0.127881 0.893499 ] [ 0.739872 0.731416 0.732419 ] [ 0.657781 0.193209 0.061701 ] [ 0.260128 0.268584 0.267581 ] [ 0.342219 0.806791 0.938299 ] ] } "species" { "source-value" [ "V" "V" "S" "S" "S" "S" "N" "N" "N" "N" "N" "N" "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" 5.79601758224 "source-unit" "angstrom" } "b" { "source-value" 7.65972223747 "source-unit" "angstrom" } "c" { "source-value" 8.12700940771 "source-unit" "angstrom" } "alpha" { "source-value" 90.1346023351 "source-unit" "degree" } "beta" { "source-value" 98.1523894267 "source-unit" "degree" } "gamma" { "source-value" 107.586554433 "source-unit" "degree" } }