{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc2_1n" } "basis-atom-coordinates" { "source-value" [ [ 0.4301 0.5124 0.194464 ] [ 0.4301 0.0124 0.305536 ] [ 0.9301 0.9876 0.694464 ] [ 0.9301 0.4876 0.805536 ] [ 0.952611 0.841765 0.045985 ] [ 0.952611 0.341765 0.454015 ] [ 0.452611 0.658235 0.545985 ] [ 0.452611 0.158235 0.954015 ] [ 0.985012 0.256517 0.07453 ] [ 0.985012 0.756517 0.42547 ] [ 0.485012 0.243483 0.57453 ] [ 0.485012 0.743483 0.92547 ] [ 0.253927 0.36135 0.047457 ] [ 0.317211 0.735386 0.080218 ] [ 0.119745 0.067705 0.092069 ] [ 0.810759 0.309889 0.214477 ] [ 0.810759 0.809889 0.285523 ] [ 0.119745 0.567705 0.407931 ] [ 0.317211 0.235386 0.419782 ] [ 0.253927 0.86135 0.452543 ] [ 0.753927 0.13865 0.547457 ] [ 0.817211 0.764614 0.580218 ] [ 0.619745 0.432295 0.592069 ] [ 0.310759 0.190111 0.714477 ] [ 0.310759 0.690111 0.785523 ] [ 0.619745 0.932295 0.907931 ] [ 0.817211 0.264614 0.919782 ] [ 0.753927 0.63865 0.952543 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "P" "P" "P" "P" "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" 4.88504271 "source-unit" "angstrom" } "b" { "source-value" 7.7484208 "source-unit" "angstrom" } "c" { "source-value" 8.52996864 "source-unit" "angstrom" } }