{ "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" [ [ 0.683887 0.347458 0.095804 ] [ 0.993494 0.005534 0.989814 ] [ 0.024142 0.050934 0.519892 ] [ 0.34712 0.691313 0.617869 ] [ 0.632257 0.298774 0.526132 ] [ 0.316371 0.620416 0.993117 ] [ 0.828783 0.162169 0.788025 ] [ 0.334205 0.161692 0.790501 ] [ 0.18276 0.338877 0.288435 ] [ 0.825319 0.647425 0.781885 ] [ 0.663963 0.839838 0.283474 ] [ 0.161841 0.823692 0.280953 ] [ 0.822392 0.147646 0.397339 ] [ 0.521549 0.05084 0.662053 ] [ 0.675439 0.341858 0.884609 ] [ 0.986972 0.975619 0.704624 ] [ 0.961764 0.978602 0.174636 ] [ 0.331983 0.194508 0.412684 ] [ 0.967338 0.516104 0.644291 ] [ 0.541394 0.516434 0.652217 ] [ 0.15934 0.310247 0.903364 ] [ 0.830476 0.704783 0.398491 ] [ 0.499719 0.536213 0.168005 ] [ 0.046898 0.511974 0.16287 ] [ 0.376179 0.706943 0.403979 ] [ 0.657142 0.777442 0.905135 ] [ 0.504391 0.963656 0.153528 ] [ 0.123182 0.779009 0.908435 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Cu" "Cu" "Cu" "Te" "Te" "Te" "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" 6.11329991 "source-unit" "angstrom" } "b" { "source-value" 6.2801476 "source-unit" "angstrom" } "c" { "source-value" 9.7000307 "source-unit" "angstrom" } "alpha" { "source-value" 92.18155679 "source-unit" "degree" } "beta" { "source-value" 90.61586023 "source-unit" "degree" } "gamma" { "source-value" 118.81438368 "source-unit" "degree" } }