{ "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" [ [ 0.148869 0.865839 0.736929 ] [ 0.347882 0.262832 0.632191 ] [ 0.997159 0.499538 0.000046 ] [ 0.50933 0.50215 0.492383 ] [ 0.50855 0.002768 0.00758 ] [ 0.986852 0.997402 0.494093 ] [ 0.765371 0.889971 0.739593 ] [ 0.236669 0.608476 0.764999 ] [ 0.266982 0.736633 0.388469 ] [ 0.261431 0.235071 0.889273 ] [ 0.731856 0.263048 0.611744 ] [ 0.726603 0.755566 0.110343 ] [ 0.777772 0.387271 0.239951 ] [ 0.234918 0.113307 0.263609 ] [ 0.487431 0.974097 0.483462 ] [ 0.492917 0.486448 0.99358 ] [ 0.011274 0.510955 0.518866 ] [ 0.012219 0.015312 0.025384 ] [ 0.341671 0.79082 0.848106 ] [ 0.17716 0.5636 0.896362 ] [ 0.944428 0.905005 0.85096 ] [ 0.867258 0.664361 0.005866 ] [ 0.143318 0.830541 0.505361 ] [ 0.060242 0.601357 0.64961 ] [ 0.813264 0.934553 0.606165 ] [ 0.649435 0.704419 0.645684 ] [ 0.447047 0.848895 0.40043 ] [ 0.437517 0.35036 0.899773 ] [ 0.363194 0.002609 0.171163 ] [ 0.360234 0.492861 0.668424 ] [ 0.325644 0.602617 0.431738 ] [ 0.309856 0.097948 0.927144 ] [ 0.154051 0.151924 0.705553 ] [ 0.152146 0.648603 0.208659 ] [ 0.847955 0.353595 0.794323 ] [ 0.845449 0.848151 0.292148 ] [ 0.681922 0.887963 0.064212 ] [ 0.679029 0.400045 0.56816 ] [ 0.640182 0.496969 0.331909 ] [ 0.630454 0.994197 0.829733 ] [ 0.552294 0.152107 0.594684 ] [ 0.55502 0.637318 0.092255 ] [ 0.351381 0.296365 0.35117 ] [ 0.187122 0.07894 0.403359 ] [ 0.950223 0.409058 0.358511 ] [ 0.862995 0.17415 0.502614 ] [ 0.132071 0.332122 0.999092 ] [ 0.052317 0.097519 0.15166 ] [ 0.823269 0.433097 0.104592 ] [ 0.657766 0.208507 0.150818 ] ] } "species" { "source-value" [ "Li" "Li" "V" "V" "V" "V" "P" "P" "P" "P" "P" "P" "P" "P" "H" "H" "H" "H" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 7.3745048 "source-unit" "angstrom" } "b" { "source-value" 9.27979431 "source-unit" "angstrom" } "c" { "source-value" 9.28741063 "source-unit" "angstrom" } "alpha" { "source-value" 116.5400793 "source-unit" "degree" } "beta" { "source-value" 97.56868486 "source-unit" "degree" } "gamma" { "source-value" 97.51863045 "source-unit" "degree" } }