{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pn2_1a" } "basis-atom-coordinates" { "source-value" [ [ 0.302257 0.78615 0.846791 ] [ 0.802257 0.28615 0.653209 ] [ 0.197743 0.78615 0.346791 ] [ 0.697743 0.28615 0.153209 ] [ 0.285922 0.285817 0.857565 ] [ 0.785922 0.785817 0.642435 ] [ 0.214078 0.285817 0.357565 ] [ 0.714078 0.785817 0.142435 ] [ 0.810127 0.036799 0.906007 ] [ 0.310127 0.536799 0.593993 ] [ 0.689873 0.036799 0.406007 ] [ 0.189873 0.536799 0.093993 ] [ 0.256133 0.543147 0.94141 ] [ 0.118474 0.026503 0.879805 ] [ 0.680728 0.86069 0.845235 ] [ 0.705714 0.219015 0.843321 ] [ 0.205714 0.719015 0.656679 ] [ 0.180728 0.36069 0.654765 ] [ 0.618474 0.526503 0.620195 ] [ 0.756133 0.043147 0.55859 ] [ 0.243867 0.543147 0.44141 ] [ 0.381526 0.026503 0.379805 ] [ 0.819272 0.86069 0.345235 ] [ 0.794286 0.219015 0.343321 ] [ 0.294286 0.719015 0.156679 ] [ 0.319272 0.36069 0.154765 ] [ 0.881526 0.526503 0.120195 ] [ 0.743867 0.043147 0.05859 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "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" 4.98795759 "source-unit" "angstrom" } "b" { "source-value" 7.24224806 "source-unit" "angstrom" } "c" { "source-value" 9.98859981 "source-unit" "angstrom" } }