{ "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" [ [ 0.553176 0.775896 0.805899 ] [ 0.446824 0.224104 0.194101 ] [ 0.77681 0.768768 0.463644 ] [ 0.22319 0.231232 0.536356 ] [ 0.099133 0.619008 0.172936 ] [ 0.900867 0.380992 0.827064 ] [ 0.814205 0.825087 0.217474 ] [ 0.185795 0.174913 0.782526 ] [ 0.336631 0.679742 0.682038 ] [ 0.663369 0.320258 0.317962 ] [ 0.5275 0.968232 0.734417 ] [ 0.4725 0.031768 0.265583 ] [ 0.356448 0.808243 0.901277 ] [ 0.643552 0.191757 0.098723 ] [ 0.590153 0.582683 0.876006 ] [ 0.409847 0.417317 0.123994 ] [ 0.23946 0.255953 0.28865 ] [ 0.76054 0.744047 0.71135 ] [ 0.220277 0.129406 0.071934 ] [ 0.779723 0.870594 0.928066 ] ] } "species" { "source-value" [ "As" "As" "I" "I" "I" "I" "I" "I" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.0716059458 "source-unit" "angstrom" } "b" { "source-value" 8.28710946556 "source-unit" "angstrom" } "c" { "source-value" 10.6132448073 "source-unit" "angstrom" } "alpha" { "source-value" 90.43256198 "source-unit" "degree" } "beta" { "source-value" 101.663744243 "source-unit" "degree" } "gamma" { "source-value" 97.799913275 "source-unit" "degree" } }