{ "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" [ [ 0.316045 0.688661 0.632222 ] [ 0.683955 0.311339 0.367778 ] [ 0 0 0.5 ] [ 0.191077 0.870699 0.179027 ] [ 0.808923 0.129301 0.820973 ] [ 0.820591 0.618932 0.806771 ] [ 0.179409 0.381068 0.193229 ] [ 0.608989 0.732028 0.123433 ] [ 0.391011 0.267972 0.876567 ] [ 0.479305 0.560294 0.322863 ] [ 0.520695 0.439706 0.677137 ] [ 0.10989 0.771496 0.925158 ] [ 0.89011 0.228504 0.074842 ] [ 0.717819 0.990466 0.557451 ] [ 0.282181 0.009534 0.442549 ] [ 0.920654 0.718036 0.571913 ] [ 0.079346 0.281964 0.428087 ] [ 0.906868 0.872144 0.238477 ] [ 0.093132 0.127856 0.761523 ] [ 0.701851 0.823626 0.878839 ] [ 0.298149 0.176374 0.121161 ] [ 0.102174 0.60499 0.285878 ] [ 0.897826 0.39501 0.714122 ] [ 0.499022 0.928609 0.185132 ] [ 0.500978 0.071391 0.814868 ] [ 0.679104 0.487197 0.026328 ] [ 0.320896 0.512803 0.973672 ] ] } "species" { "source-value" [ "Ba" "Ba" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "F" "F" "F" "F" "F" "F" "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" 7.16236048512 "source-unit" "angstrom" } "b" { "source-value" 7.44266370812 "source-unit" "angstrom" } "c" { "source-value" 7.63773743399 "source-unit" "angstrom" } "alpha" { "source-value" 94.2851827402 "source-unit" "degree" } "beta" { "source-value" 92.8854904613 "source-unit" "degree" } "gamma" { "source-value" 116.340708403 "source-unit" "degree" } }