{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.239865 0.25 0.374681 ] [ 0.760135 0.75 0.625319 ] [ 0.243695 0.75 0.081528 ] [ 0.762535 0.976693 0.246494 ] [ 0.762535 0.523307 0.246494 ] [ 0.237465 0.476693 0.753506 ] [ 0.237465 0.023307 0.753506 ] [ 0.756305 0.25 0.918472 ] [ 0.295003 0.75 0.392551 ] [ 0.704997 0.25 0.607449 ] [ 0.266303 0.25 0.046639 ] [ 0.733697 0.75 0.953361 ] [ 0.715818 0.75 0.086948 ] [ 0.047533 0.25 0.10426 ] [ 0.469364 0.25 0.121582 ] [ 0.18097 0.913917 0.320916 ] [ 0.18097 0.586083 0.320916 ] [ 0.581752 0.75 0.372749 ] [ 0.75216 0.25 0.44748 ] [ 0.24784 0.75 0.55252 ] [ 0.418248 0.25 0.627251 ] [ 0.81903 0.413917 0.679084 ] [ 0.81903 0.086083 0.679084 ] [ 0.530636 0.75 0.878418 ] [ 0.952467 0.75 0.89574 ] [ 0.284182 0.25 0.913052 ] ] } "species" { "source-value" [ "Ba" "Ba" "Na" "Na" "Na" "Na" "Na" "Na" "P" "P" "C" "C" "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" 5.38983591 "source-unit" "angstrom" } "b" { "source-value" 7.64667611 "source-unit" "angstrom" } "c" { "source-value" 9.70654352 "source-unit" "angstrom" } "beta" { "source-value" 90.32511315 "source-unit" "degree" } }