{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1nb" } "basis-atom-coordinates" { "source-value" [ [ 0.794176 0.481396 0.235295 ] [ 0.76756 0.174202 0.052211 ] [ 0.26756 0.325798 0.552211 ] [ 0.26756 0.825798 0.947789 ] [ 0.76756 0.674202 0.447789 ] [ 0.794176 0.981396 0.264705 ] [ 0.294176 0.018604 0.735295 ] [ 0.294176 0.518604 0.764705 ] [ 0.246659 0.498072 0.05671 ] [ 0.246926 0.308424 0.344895 ] [ 0.746926 0.191576 0.844895 ] [ 0.746926 0.691576 0.655105 ] [ 0.246659 0.998072 0.44329 ] [ 0.746659 0.001928 0.55671 ] [ 0.746659 0.501928 0.94329 ] [ 0.246926 0.808424 0.155105 ] [ 0.748411 0.795144 0.822561 ] [ 0.248411 0.204856 0.177439 ] [ 0.250504 0.782757 0.572272 ] [ 0.248411 0.704856 0.322561 ] [ 0.750504 0.717243 0.072272 ] [ 0.250504 0.282757 0.927728 ] [ 0.748411 0.295144 0.677439 ] [ 0.750504 0.217243 0.427728 ] [ 0.617191 0.555128 0.037925 ] [ 0.20449 0.13397 0.979575 ] [ 0.637945 0.763353 0.74451 ] [ 0.065071 0.192015 0.41861 ] [ 0.116181 0.245545 0.853562 ] [ 0.142747 0.346508 0.125778 ] [ 0.116181 0.745545 0.646438 ] [ 0.137945 0.236647 0.25549 ] [ 0.616181 0.254455 0.353562 ] [ 0.641591 0.969177 0.849211 ] [ 0.642747 0.153492 0.625778 ] [ 0.565071 0.307985 0.91861 ] [ 0.137945 0.736647 0.24451 ] [ 0.065071 0.692015 0.08139 ] [ 0.141591 0.530823 0.349211 ] [ 0.637945 0.263353 0.75549 ] [ 0.617191 0.055128 0.462075 ] [ 0.141591 0.030823 0.150789 ] [ 0.565071 0.807985 0.58139 ] [ 0.642747 0.653492 0.874222 ] [ 0.06165 0.294385 0.678734 ] [ 0.142747 0.846508 0.374222 ] [ 0.70449 0.86603 0.020425 ] [ 0.70449 0.36603 0.479575 ] [ 0.117191 0.444872 0.962075 ] [ 0.117191 0.944872 0.537925 ] [ 0.616181 0.754455 0.146438 ] [ 0.06165 0.794385 0.821266 ] [ 0.56165 0.705615 0.321266 ] [ 0.641591 0.469177 0.650789 ] [ 0.20449 0.63397 0.520425 ] [ 0.56165 0.205615 0.178734 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "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" 5.27739927 "source-unit" "angstrom" } "b" { "source-value" 8.48916656 "source-unit" "angstrom" } "c" { "source-value" 19.76541631 "source-unit" "angstrom" } }