{ "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" [ [ 0.161909 0.186634 0.336222 ] [ 0.465423 0.256631 0.776582 ] [ 0.53726 0.743056 0.223697 ] [ 0.838414 0.809316 0.663803 ] [ 0.95986 0.277096 0.809308 ] [ 0.009977 0.473486 0.524568 ] [ 0.120878 0.054952 0.044625 ] [ 0.250847 0.580929 0.966087 ] [ 0.750028 0.420556 0.030679 ] [ 0.868696 0.989409 0.915644 ] [ 0.035547 0.72354 0.197861 ] [ 0.373242 0.779784 0.723132 ] [ 0.627028 0.221287 0.275615 ] [ 0.059278 0.346558 0.61576 ] [ 0.115951 0.194455 0.952435 ] [ 0.155042 0.569128 0.169007 ] [ 0.149309 0.881501 0.189654 ] [ 0.205691 0.896815 0.659572 ] [ 0.313675 0.577411 0.846761 ] [ 0.519113 0.149698 0.158212 ] [ 0.482302 0.737721 0.57641 ] [ 0.517324 0.26271 0.423372 ] [ 0.480609 0.84935 0.842289 ] [ 0.685295 0.421838 0.152191 ] [ 0.794156 0.103893 0.340257 ] [ 0.844379 0.111573 0.80702 ] [ 0.840788 0.432037 0.8443 ] [ 0.894084 0.792099 0.051554 ] [ 0.943896 0.656537 0.383383 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "P" "H" "H" "H" "H" "H" "S" "S" "S" "O" "O" "O" "O" "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" 7.38736541 "source-unit" "angstrom" } "b" { "source-value" 7.6181038 "source-unit" "angstrom" } "c" { "source-value" 7.64466074 "source-unit" "angstrom" } "alpha" { "source-value" 70.78580193 "source-unit" "degree" } "beta" { "source-value" 87.85494129 "source-unit" "degree" } "gamma" { "source-value" 85.52811362 "source-unit" "degree" } }