{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnnm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.823141 0.947099 ] [ 0 0.990083 0.800757 ] [ 0.5 0.490083 0.699243 ] [ 0 0.323141 0.552901 ] [ 0 0.676859 0.447099 ] [ 0.5 0.509917 0.300757 ] [ 0 0.009917 0.199243 ] [ 0.5 0.176859 0.052901 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0.229212 0.797622 ] [ 0 0.729212 0.702378 ] [ 0 0.270788 0.297622 ] [ 0.5 0.770788 0.202378 ] [ 0.5 0.378613 0.884309 ] [ 0 0.743384 0.851566 ] [ 0.5 0.073807 0.863414 ] [ 0 0.573807 0.636586 ] [ 0.5 0.243384 0.648434 ] [ 0 0.878613 0.615691 ] [ 0 0.121387 0.384309 ] [ 0.5 0.756616 0.351566 ] [ 0 0.426193 0.363414 ] [ 0.5 0.926193 0.136586 ] [ 0 0.256616 0.148434 ] [ 0.5 0.621387 0.115691 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "B" "B" "B" "B" "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" 3.35973056 "source-unit" "angstrom" } "b" { "source-value" 7.87050885 "source-unit" "angstrom" } "c" { "source-value" 9.2933455 "source-unit" "angstrom" } }