{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C222_1" } "basis-atom-coordinates" { "source-value" [ [ 0.32649 0 0.5 ] [ 0 0.192943 0.75 ] [ 0 0.807057 0.25 ] [ 0.67351 0 0 ] [ 0.82649 0.5 0.5 ] [ 0.5 0.692943 0.75 ] [ 0.5 0.307057 0.25 ] [ 0.17351 0.5 0 ] [ 0 0.182673 0.25 ] [ 0 0.817327 0.75 ] [ 0.5 0.682673 0.25 ] [ 0.5 0.317327 0.75 ] [ 0.315393 0 0 ] [ 0.684607 0 0.5 ] [ 0.815393 0.5 0 ] [ 0.184607 0.5 0.5 ] [ 0.197331 0.008269 0.205287 ] [ 0.197331 0.991731 0.794713 ] [ 0.943526 0.334261 0.009925 ] [ 0.943526 0.665739 0.990075 ] [ 0.056474 0.334261 0.490075 ] [ 0.056474 0.665739 0.509925 ] [ 0.802669 0.991731 0.705287 ] [ 0.802669 0.008269 0.294713 ] [ 0.697331 0.508269 0.205287 ] [ 0.697331 0.491731 0.794713 ] [ 0.443526 0.834261 0.009925 ] [ 0.443526 0.165739 0.990075 ] [ 0.556474 0.834261 0.490075 ] [ 0.556474 0.165739 0.509925 ] [ 0.302669 0.491731 0.705287 ] [ 0.302669 0.508269 0.294713 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "B" "B" "B" "B" "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" 6.99250458 "source-unit" "angstrom" } "b" { "source-value" 7.21548664 "source-unit" "angstrom" } "c" { "source-value" 6.03296851 "source-unit" "angstrom" } }