{ "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" [ [ 0.921592 0.376188 0.193322 ] [ 0.078408 0.623812 0.806678 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0.452289 0.357582 0.758676 ] [ 0.547711 0.642418 0.241324 ] [ 0.705288 0.744847 0.083166 ] [ 0.642984 0.331498 0.34557 ] [ 0.357016 0.668502 0.65443 ] [ 0.645818 0.791705 0.396072 ] [ 0.294712 0.255153 0.916834 ] [ 0.354182 0.208295 0.603928 ] [ 0.237617 0.65609 0.129618 ] [ 0.762383 0.34391 0.870382 ] [ 0.111414 0.066485 0.250872 ] [ 0.888586 0.933515 0.749128 ] ] } "species" { "source-value" [ "Li" "Li" "Cu" "Cu" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.25208726531 "source-unit" "angstrom" } "b" { "source-value" 5.22744484485 "source-unit" "angstrom" } "c" { "source-value" 7.27267827607 "source-unit" "angstrom" } "alpha" { "source-value" 108.909073798 "source-unit" "degree" } "beta" { "source-value" 104.392575656 "source-unit" "degree" } "gamma" { "source-value" 98.008611299 "source-unit" "degree" } }