{ "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" [ [ 0.392442 0.847691 0.133232 ] [ 0.497497 0.003624 0.505488 ] [ 0.988426 0.486258 0.993342 ] [ 0.132758 0.271664 0.642995 ] [ 0.369407 0.232015 0.152188 ] [ 0.623371 0.760877 0.845522 ] [ 0.873987 0.732117 0.347294 ] [ 0.533294 0.512163 0.492079 ] [ 0.962779 0.988337 0.989325 ] [ 0.139573 0.85246 0.441445 ] [ 0.036581 0.325441 0.826877 ] [ 0.162149 0.362353 0.159857 ] [ 0.264243 0.451436 0.554094 ] [ 0.362433 0.654001 0.948756 ] [ 0.542539 0.813064 0.669161 ] [ 0.242575 0.053545 0.052709 ] [ 0.328063 0.137915 0.672118 ] [ 0.660478 0.855782 0.323882 ] [ 0.746894 0.941384 0.952857 ] [ 0.463181 0.188483 0.328996 ] [ 0.638001 0.352487 0.055853 ] [ 0.745242 0.550102 0.442488 ] [ 0.837769 0.636504 0.836387 ] [ 0.984308 0.68188 0.172088 ] [ 0.856454 0.153117 0.558236 ] ] } "species" { "source-value" [ "Li" "V" "V" "P" "P" "P" "P" "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" 4.87820665 "source-unit" "angstrom" } "b" { "source-value" 7.34340893 "source-unit" "angstrom" } "c" { "source-value" 7.88900953 "source-unit" "angstrom" } "alpha" { "source-value" 90.12078939 "source-unit" "degree" } "beta" { "source-value" 90.44721034 "source-unit" "degree" } "gamma" { "source-value" 104.58605472 "source-unit" "degree" } }