{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.991512 0 0.005234 ] [ 0.981515 0 0.331564 ] [ 0.9976 0 0.668671 ] [ 0.768483 0.5 0.164401 ] [ 0.752394 0.5 0.485579 ] [ 0.743205 0.5 0.854307 ] [ 0.502052 0 0.342511 ] [ 0.487869 0 0.996195 ] [ 0.483746 0 0.664937 ] [ 0.251703 0.5 0.149908 ] [ 0.273282 0.5 0.494977 ] [ 0.272677 0.5 0.83217 ] [ 0.902808 0.5 0.26978 ] [ 0.906774 0.5 0.937199 ] [ 0.843241 0 0.101948 ] [ 0.852465 0 0.439036 ] [ 0.651424 0 0.905998 ] [ 0.597207 0.5 0.396527 ] [ 0.401444 0.5 0.936601 ] [ 0.405512 0.5 0.600258 ] [ 0.347514 0 0.10116 ] [ 0.343274 0 0.429558 ] [ 0.351288 0 0.767631 ] [ 0.095521 0.5 0.060264 ] [ 0.894438 0.5 0.604235 ] [ 0.841712 0 0.772631 ] [ 0.64645 0 0.230481 ] [ 0.655098 0 0.567155 ] [ 0.594637 0.5 0.07148 ] [ 0.6038 0.5 0.731918 ] [ 0.401233 0.5 0.264464 ] [ 0.154471 0 0.232148 ] [ 0.153962 0 0.893112 ] [ 0.152385 0 0.562602 ] [ 0.099717 0.5 0.398486 ] [ 0.097589 0.5 0.734871 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 9.50399488 "source-unit" "angstrom" } "b" { "source-value" 3.10840744 "source-unit" "angstrom" } "c" { "source-value" 14.29663556 "source-unit" "angstrom" } "beta" { "source-value" 90.31844306 "source-unit" "degree" } }