{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbn2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.262578 0.986308 0.832654 ] [ 0.762578 0.013692 0.167346 ] [ 0.762578 0.486308 0.667346 ] [ 0.262578 0.513692 0.332654 ] [ 0.261924 0.276495 0.085493 ] [ 0.261924 0.223505 0.585493 ] [ 0.761924 0.723505 0.914507 ] [ 0.761924 0.776495 0.414507 ] [ 0.262873 0.017116 0.327196 ] [ 0.262873 0.482884 0.827196 ] [ 0.762873 0.517116 0.172804 ] [ 0.762873 0.982884 0.672804 ] [ 0.62604 0.19516 0.615555 ] [ 0.197748 0.225151 0.412843 ] [ 0.197748 0.274849 0.912843 ] [ 0.62604 0.30484 0.115555 ] [ 0.153612 0.45246 0.684978 ] [ 0.082222 0.485414 0.172895 ] [ 0.582222 0.514586 0.827105 ] [ 0.653612 0.54754 0.315022 ] [ 0.12604 0.69516 0.884445 ] [ 0.697748 0.725151 0.087157 ] [ 0.697748 0.774849 0.587157 ] [ 0.12604 0.80484 0.384445 ] [ 0.653612 0.95246 0.815022 ] [ 0.582222 0.985414 0.327105 ] [ 0.082222 0.014586 0.672895 ] [ 0.153612 0.04754 0.184978 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Si" "Si" "Si" "Si" "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" 5.13610642 "source-unit" "angstrom" } "b" { "source-value" 6.43708952 "source-unit" "angstrom" } "c" { "source-value" 10.84452101 "source-unit" "angstrom" } }