{ "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" [ [ 0.500561 0.500092 0.499841 ] [ 0.478691 0.485194 0.004068 ] [ 0.999669 0.999517 0.49977 ] [ 0.003599 0.003772 0.000816 ] [ 0.225988 0.296489 0.03863 ] [ 0.096716 0.991268 0.749415 ] [ 0.193863 0.69625 0.450011 ] [ 0.296975 0.793498 0.052675 ] [ 0.30642 0.195817 0.446736 ] [ 0.404923 0.501508 0.750298 ] [ 0.60095 0.504097 0.249298 ] [ 0.69186 0.805474 0.550982 ] [ 0.710238 0.211598 0.948309 ] [ 0.782479 0.706105 0.959494 ] [ 0.805795 0.302853 0.549633 ] [ 0.901272 0.006468 0.250021 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "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" 5.25649995 "source-unit" "angstrom" } "b" { "source-value" 5.44724793 "source-unit" "angstrom" } "c" { "source-value" 7.61032891 "source-unit" "angstrom" } "alpha" { "source-value" 92.9960069 "source-unit" "degree" } "beta" { "source-value" 89.97987311 "source-unit" "degree" } "gamma" { "source-value" 90.63721776 "source-unit" "degree" } }