{ "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" [ [ 0.671562 0.247814 0.496022 ] [ 0.325848 0.251245 0.248665 ] [ 0.811301 0.002932 0.749251 ] [ 0.813973 0.995625 0.245768 ] [ 0.664996 0.24318 0.002472 ] [ 0.345824 0.25534 0.750766 ] [ 0.18459 0.504327 0.998835 ] [ 0.188292 0.498276 0.496326 ] [ 0.339676 0.743893 0.747903 ] [ 0.334916 0.74289 0.246258 ] [ 0.665161 0.757038 0.494604 ] [ 0.660443 0.755626 0.999971 ] [ 0.174327 0.003174 0.002685 ] [ 0.172695 0.007997 0.497125 ] [ 0.825953 0.490988 0.253187 ] [ 0.826245 0.498294 0.746243 ] [ 0.177579 0.005816 0.645748 ] [ 0.904917 0.014679 0.449062 ] [ 0.181823 0.008375 0.150928 ] [ 0.910801 0.999599 0.94944 ] [ 0.317744 0.203713 0.442486 ] [ 0.30545 0.207544 0.949326 ] [ 0.677975 0.292595 0.203305 ] [ 0.695613 0.297657 0.687245 ] [ 0.822931 0.494867 0.894648 ] [ 0.091409 0.501723 0.695474 ] [ 0.816723 0.491211 0.401599 ] [ 0.091999 0.482961 0.203959 ] [ 0.694903 0.704119 0.696421 ] [ 0.699947 0.69712 0.200065 ] [ 0.299325 0.799976 0.446227 ] [ 0.305059 0.799407 0.950575 ] ] } "species" { "source-value" [ "Li" "Li" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "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" 5.50968465 "source-unit" "angstrom" } "b" { "source-value" 6.26006024 "source-unit" "angstrom" } "c" { "source-value" 10.46439894 "source-unit" "angstrom" } "alpha" { "source-value" 90.03162336 "source-unit" "degree" } "beta" { "source-value" 90.10566293 "source-unit" "degree" } "gamma" { "source-value" 90.42724572 "source-unit" "degree" } }