{ "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" [ [ 0.156998 0.775596 0.709514 ] [ 0.843002 0.224404 0.290486 ] [ 0.10567 0.731761 0.848773 ] [ 0.89433 0.268239 0.151227 ] [ 0.901975 0.729668 0.640845 ] [ 0.098025 0.270332 0.359155 ] [ 0.059953 0.906926 0.785683 ] [ 0.940047 0.093074 0.214317 ] [ 0.775602 0.661166 0.795776 ] [ 0.224398 0.338834 0.204224 ] [ 0.916904 0.469606 0.685853 ] [ 0.083096 0.530394 0.314147 ] [ 0.742215 0.252745 0.009726 ] [ 0.257785 0.747255 0.990274 ] [ 0.613029 0.143653 0.34005 ] [ 0.386971 0.856347 0.65995 ] [ 0.778556 0.74179 0.498931 ] [ 0.221444 0.25821 0.501069 ] [ 0.156422 0.170081 0.843727 ] [ 0.843578 0.829919 0.156273 ] ] } "species" { "source-value" [ "B" "B" "B" "B" "B" "B" "B" "B" "As" "As" "As" "As" "Cl" "Cl" "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" 7.39730468514 "source-unit" "angstrom" } "b" { "source-value" 7.66471405312 "source-unit" "angstrom" } "c" { "source-value" 11.4579813283 "source-unit" "angstrom" } "alpha" { "source-value" 99.4109951369 "source-unit" "degree" } "beta" { "source-value" 100.30175316 "source-unit" "degree" } "gamma" { "source-value" 117.121458695 "source-unit" "degree" } }