{ "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" [ [ 0.986713 0.0115 0.999106 ] [ 0.040889 0.977422 0.793636 ] [ 0.988153 0.056585 0.599172 ] [ 0.049969 0.99688 0.402733 ] [ 0.03281 0.986612 0.205993 ] [ 0.489478 0.516965 0.906539 ] [ 0.48224 0.482547 0.500424 ] [ 0.479599 0.475538 0.702094 ] [ 0.456464 0.495492 0.298638 ] [ 0.490304 0.517251 0.092281 ] [ 0.189013 0.191945 0.699282 ] [ 0.191406 0.199283 0.500881 ] [ 0.197937 0.183004 0.301484 ] [ 0.297485 0.70757 0.999332 ] [ 0.316383 0.681982 0.799079 ] [ 0.315792 0.683714 0.40203 ] [ 0.309205 0.686963 0.198982 ] [ 0.684902 0.320281 0.999373 ] [ 0.67773 0.323201 0.600369 ] [ 0.200201 0.195837 0.891972 ] [ 0.194485 0.200451 0.107075 ] [ 0.290289 0.707851 0.600336 ] [ 0.708237 0.288193 0.799461 ] [ 0.702207 0.292922 0.399424 ] [ 0.703749 0.294589 0.201351 ] [ 0.806964 0.805234 0.889835 ] [ 0.804486 0.810604 0.500831 ] [ 0.800384 0.803799 0.696871 ] [ 0.802964 0.811408 0.108944 ] [ 0.809562 0.794375 0.302476 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 4.76279443 "source-unit" "angstrom" } "b" { "source-value" 4.77013093 "source-unit" "angstrom" } "c" { "source-value" 15.51832111 "source-unit" "angstrom" } "alpha" { "source-value" 89.97635455 "source-unit" "degree" } "beta" { "source-value" 89.95867645 "source-unit" "degree" } "gamma" { "source-value" 88.72048151 "source-unit" "degree" } }