{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.544279 0.103767 0.730779 ] [ 0.479498 0.935367 0.199168 ] [ 0.125972 0.251988 0.065582 ] [ 0.160642 0.320279 0.434672 ] [ 0.238578 0.476499 0.7475 ] [ 0.774358 0.551932 0.242979 ] [ 0.834415 0.673191 0.56998 ] [ 0.889713 0.780487 0.892898 ] [ 0.293863 0.590197 0.587548 ] [ 0.936389 0.876094 0.727858 ] [ 0.060098 0.11081 0.308979 ] [ 0.122572 0.23965 0.610105 ] [ 0.142594 0.284887 0.886633 ] [ 0.639608 0.280199 0.111682 ] [ 0.698043 0.396366 0.425228 ] [ 0.753238 0.505737 0.772618 ] [ 0.235418 0.473986 0.241102 ] [ 0.356559 0.713905 0.899188 ] [ 0.843164 0.692571 0.116504 ] [ 0.866962 0.751421 0.399347 ] [ 0.995967 0.999741 0.029533 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "N" "N" "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" 3.75552094 "source-unit" "angstrom" } "b" { "source-value" 7.71916334 "source-unit" "angstrom" } "c" { "source-value" 9.59897788 "source-unit" "angstrom" } "alpha" { "source-value" 100.8911398 "source-unit" "degree" } "beta" { "source-value" 90.14294012 "source-unit" "degree" } "gamma" { "source-value" 103.80716645 "source-unit" "degree" } }