{ "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" [ [ 0.495301 0.178617 0.855701 ] [ 0.786157 0.3845 0.563662 ] [ 0.213843 0.6155 0.436338 ] [ 0.504699 0.821383 0.144299 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0.688091 0.279813 0.251736 ] [ 0.177783 0.439591 0.126495 ] [ 0.822217 0.560409 0.873505 ] [ 0.311909 0.720187 0.748264 ] [ 0.203439 0.306763 0.639459 ] [ 0.247427 0.095702 0.333872 ] [ 0.752573 0.904298 0.666128 ] [ 0.796561 0.693237 0.360541 ] [ 0.799983 0.023244 0.168193 ] [ 0.252174 0.169473 0.052771 ] [ 0.649884 0.055159 0.647528 ] [ 0.203785 0.278141 0.555774 ] [ 0.673342 0.244793 0.403996 ] [ 0.36997 0.429823 0.238509 ] [ 0.769793 0.32174 0.961515 ] [ 0.135709 0.503205 0.791983 ] [ 0.864291 0.496795 0.208017 ] [ 0.230207 0.67826 0.038485 ] [ 0.63003 0.570177 0.761491 ] [ 0.326658 0.755207 0.596004 ] [ 0.796215 0.721859 0.444226 ] [ 0.350116 0.944841 0.352472 ] [ 0.747826 0.830527 0.947229 ] [ 0.200017 0.976756 0.831807 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Sn" "Sn" "Ge" "Ge" "Ge" "Ge" "H" "H" "H" "H" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.67390568 "source-unit" "angstrom" } "b" { "source-value" 5.91169865 "source-unit" "angstrom" } "c" { "source-value" 11.46127683 "source-unit" "angstrom" } "alpha" { "source-value" 87.35922508 "source-unit" "degree" } "beta" { "source-value" 80.09934976 "source-unit" "degree" } "gamma" { "source-value" 75.17638581 "source-unit" "degree" } }