{ "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 0 0 ] [ 0.179147 0.147542 0.495047 ] [ 0.820853 0.852458 0.504953 ] [ 0.570212 0.570001 0.281495 ] [ 0.429788 0.429999 0.718505 ] [ 0.788584 0.123916 0.658806 ] [ 0.211416 0.876084 0.341194 ] [ 0.867512 0.551052 0.360445 ] [ 0.3542 0.358359 0.924683 ] [ 0.6458 0.641641 0.075317 ] [ 0.132488 0.448948 0.639555 ] [ 0.445282 0.783455 0.659967 ] [ 0.554718 0.216545 0.340033 ] ] } "species" { "source-value" [ "Ba" "Co" "Co" "As" "As" "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" 4.90574710085 "source-unit" "angstrom" } "b" { "source-value" 5.03992647754 "source-unit" "angstrom" } "c" { "source-value" 8.68437692279 "source-unit" "angstrom" } "alpha" { "source-value" 73.9773005788 "source-unit" "degree" } "beta" { "source-value" 73.9928462278 "source-unit" "degree" } "gamma" { "source-value" 60.9165465076 "source-unit" "degree" } }