{ "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" [ [ 0.501565 0.502328 0.988321 ] [ 0.147092 0.362715 0.590388 ] [ 0.857108 0.630479 0.443452 ] [ 0.147131 0.723816 0.881042 ] [ 0.92082 0.199566 0.053872 ] [ 0.757615 0.350217 0.671498 ] [ 0.230903 0.011743 0.687959 ] [ 0.505341 0.228389 0.257718 ] [ 0.761189 0.988843 0.33705 ] [ 0.229324 0.675269 0.32664 ] [ 0.493985 0.768344 0.728914 ] [ 0.555655 0.011542 0.214133 ] [ 0.289458 0.189812 0.161557 ] [ 0.65204 0.349297 0.210027 ] [ 0.722832 0.3973 0.868601 ] [ 0.929441 0.480213 0.662478 ] [ 0.066555 0.52729 0.332417 ] [ 0.442452 0.985749 0.793153 ] [ 0.711104 0.813052 0.823575 ] [ 0.932004 0.108743 0.312263 ] [ 0.773071 0.115252 0.57377 ] [ 0.255511 0.233204 0.752544 ] [ 0.555553 0.330081 0.50531 ] [ 0.246393 0.639526 0.124589 ] [ 0.211391 0.902581 0.445475 ] [ 0.738253 0.771136 0.282214 ] [ 0.35864 0.632725 0.773473 ] [ 0.072268 0.886719 0.716466 ] [ 0.435303 0.684072 0.481103 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Sn" "P" "P" "P" "P" "P" "P" "O" "O" "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" 7.3037173 "source-unit" "angstrom" } "b" { "source-value" 7.49377233 "source-unit" "angstrom" } "c" { "source-value" 7.58588196 "source-unit" "angstrom" } "alpha" { "source-value" 113.76970387 "source-unit" "degree" } "beta" { "source-value" 104.85416621 "source-unit" "degree" } "gamma" { "source-value" 97.94635284 "source-unit" "degree" } }