{ "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" [ [ 0.56254 0.828355 0.657398 ] [ 0.513828 0.519456 0.012977 ] [ 0.489197 0.167207 0.335672 ] [ 0.969413 0.333361 0.686592 ] [ 0.991552 0.666052 0.32042 ] [ 0.978358 0.982998 0.987942 ] [ 0.801071 0.04408 0.75423 ] [ 0.802794 0.690551 0.108064 ] [ 0.691243 0.535675 0.775712 ] [ 0.694708 0.878944 0.425537 ] [ 0.308074 0.455782 0.237755 ] [ 0.803837 0.368903 0.439826 ] [ 0.696103 0.202411 0.106864 ] [ 0.295943 0.134274 0.565166 ] [ 0.308727 0.799756 0.888479 ] [ 0.202413 0.962809 0.233445 ] [ 0.184725 0.62346 0.565175 ] [ 0.205474 0.305926 0.898745 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "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" 4.74348106 "source-unit" "angstrom" } "b" { "source-value" 5.69132535 "source-unit" "angstrom" } "c" { "source-value" 7.86055811 "source-unit" "angstrom" } "alpha" { "source-value" 85.17574778 "source-unit" "degree" } "beta" { "source-value" 89.35459193 "source-unit" "degree" } "gamma" { "source-value" 88.6925987 "source-unit" "degree" } }