{ "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" [ [ 0.844936 0.000039 0.745626 ] [ 0.843666 0.999805 0.245696 ] [ 0.672451 0.245575 0.494357 ] [ 0.673407 0.248153 0.996837 ] [ 0.326998 0.252286 0.244652 ] [ 0.155294 0.500447 0.99599 ] [ 0.156163 0.499257 0.495064 ] [ 0.328525 0.747474 0.745374 ] [ 0.325952 0.746248 0.246008 ] [ 0.673166 0.752328 0.494004 ] [ 0.334244 0.256733 0.748499 ] [ 0.665505 0.756485 0.999007 ] [ 0.173894 0.002151 0.002067 ] [ 0.173112 0.997213 0.496504 ] [ 0.826453 0.498127 0.252466 ] [ 0.826487 0.501184 0.746273 ] [ 0.173392 0.991066 0.653493 ] [ 0.896786 0.998598 0.446659 ] [ 0.176232 0.99628 0.158297 ] [ 0.90152 0.014289 0.947055 ] [ 0.311263 0.203908 0.445702 ] [ 0.318638 0.209062 0.956904 ] [ 0.688056 0.294303 0.198145 ] [ 0.70294 0.290535 0.690798 ] [ 0.828082 0.491101 0.903057 ] [ 0.100591 0.512962 0.693499 ] [ 0.822046 0.496371 0.408703 ] [ 0.101206 0.500108 0.200315 ] [ 0.683267 0.704902 0.696318 ] [ 0.686555 0.707979 0.206303 ] [ 0.311867 0.791907 0.444511 ] [ 0.297308 0.793125 0.94441 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cu" "Cu" "P" "P" "P" "P" "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" 5.35367114 "source-unit" "angstrom" } "b" { "source-value" 6.20281813 "source-unit" "angstrom" } "c" { "source-value" 9.95127484 "source-unit" "angstrom" } "alpha" { "source-value" 89.8937202 "source-unit" "degree" } "beta" { "source-value" 89.99832141 "source-unit" "degree" } "gamma" { "source-value" 89.99185211 "source-unit" "degree" } }