{ "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" [ [ 0.524802 0.809515 0.666831 ] [ 0.5 0.5 0 ] [ 0.475198 0.190485 0.333169 ] [ 0.981131 0.345782 0.674652 ] [ 0.018869 0.654218 0.325348 ] [ 0 0 0 ] [ 0.683093 0.537057 0.781731 ] [ 0.316907 0.462943 0.218269 ] [ 0.798445 0.359334 0.431573 ] [ 0.798863 0.028033 0.763885 ] [ 0.790818 0.706374 0.099403 ] [ 0.698599 0.201504 0.099653 ] [ 0.697057 0.871083 0.432216 ] [ 0.302943 0.128917 0.567784 ] [ 0.301401 0.798496 0.900347 ] [ 0.201137 0.971967 0.236115 ] [ 0.201555 0.640666 0.568427 ] [ 0.209182 0.293626 0.900597 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "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" 4.8493954 "source-unit" "angstrom" } "b" { "source-value" 5.82929668 "source-unit" "angstrom" } "c" { "source-value" 7.93134854 "source-unit" "angstrom" } "alpha" { "source-value" 86.23401196 "source-unit" "degree" } "beta" { "source-value" 88.80117406 "source-unit" "degree" } "gamma" { "source-value" 88.96343778 "source-unit" "degree" } }