{ "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" [ [ 0.663217 0.668043 0.833135 ] [ 0.831916 0.834236 0.6666 ] [ 0.333044 0.833599 0.666405 ] [ 0.666956 0.166401 0.333595 ] [ 0.168084 0.165764 0.3334 ] [ 0.336783 0.331957 0.166865 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.167011 0.667061 0.333256 ] [ 0.832989 0.332939 0.666744 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.144153 0.710501 0.588593 ] [ 0.709645 0.139321 0.587271 ] [ 0.954669 0.52948 0.7467 ] [ 0.519451 0.957838 0.743653 ] [ 0.664097 0.672929 0.598726 ] [ 0.850043 0.859235 0.41301 ] [ 0.513984 0.527691 0.746152 ] [ 0.002142 0.993184 0.73459 ] [ 0.335903 0.327071 0.401274 ] [ 0.149957 0.140765 0.58699 ] [ 0.486016 0.472309 0.253848 ] [ 0.480549 0.042162 0.256347 ] [ 0.045331 0.47052 0.2533 ] [ 0.197748 0.620153 0.080627 ] [ 0.629373 0.193009 0.07944 ] [ 0.855847 0.289499 0.411407 ] [ 0.290355 0.860679 0.412729 ] [ 0.200098 0.174729 0.081837 ] [ 0.340833 0.333519 0.931058 ] [ 0.997858 0.006816 0.26541 ] [ 0.659167 0.666481 0.068942 ] [ 0.799902 0.825271 0.918163 ] [ 0.370627 0.806991 0.92056 ] [ 0.802252 0.379847 0.919373 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.86372586 "source-unit" "angstrom" } "b" { "source-value" 5.90989693 "source-unit" "angstrom" } "c" { "source-value" 14.29779271 "source-unit" "angstrom" } "alpha" { "source-value" 89.28662264 "source-unit" "degree" } "beta" { "source-value" 89.45019499 "source-unit" "degree" } "gamma" { "source-value" 60.62035771 "source-unit" "degree" } }