{ "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" [ [ 0.605697 0.822138 0.924829 ] [ 0.902269 0.597126 0.128802 ] [ 0.394303 0.177862 0.075171 ] [ 0.694924 0.402907 0.431932 ] [ 0.097731 0.402874 0.871198 ] [ 0.305076 0.597093 0.568068 ] [ 0.100875 0.818386 0.821174 ] [ 0.899125 0.181614 0.178826 ] [ 0.380905 0.697556 0.224217 ] [ 0.619095 0.302444 0.775783 ] [ 0.96571 0.272565 0.566585 ] [ 0.03429 0.727435 0.433415 ] [ 0.587473 0.875405 0.675216 ] [ 0.412527 0.124595 0.324784 ] [ 0.31337 0.882833 0.955641 ] [ 0.528485 0.428146 0.617292 ] [ 0.208265 0.555641 0.119967 ] [ 0.68663 0.117167 0.044359 ] [ 0.822169 0.383958 0.231522 ] [ 0.086095 0.221792 0.040202 ] [ 0.471515 0.571854 0.382708 ] [ 0.615477 0.690742 0.118595 ] [ 0.791735 0.444359 0.880033 ] [ 0.177831 0.616042 0.768478 ] [ 0.384523 0.309258 0.881405 ] [ 0.913905 0.778208 0.959798 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Se" "Se" "Se" "Se" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.17100780505 "source-unit" "angstrom" } "b" { "source-value" 8.05440633131 "source-unit" "angstrom" } "c" { "source-value" 8.67900849377 "source-unit" "angstrom" } "alpha" { "source-value" 91.0825612809 "source-unit" "degree" } "beta" { "source-value" 94.8587824083 "source-unit" "degree" } "gamma" { "source-value" 91.8445422512 "source-unit" "degree" } }