{ "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" [ [ 0.305914 0.786886 0.844188 ] [ 0.805914 0.286886 0.655812 ] [ 0.194086 0.786886 0.344188 ] [ 0.694086 0.286886 0.155812 ] [ 0.296643 0.284971 0.851748 ] [ 0.796643 0.784971 0.648252 ] [ 0.203357 0.284971 0.351748 ] [ 0.703357 0.784971 0.148252 ] [ 0.810699 0.036965 0.907071 ] [ 0.310699 0.536965 0.592929 ] [ 0.689301 0.036965 0.407071 ] [ 0.189301 0.536965 0.092929 ] [ 0.256352 0.534627 0.93959 ] [ 0.122133 0.03498 0.882639 ] [ 0.689314 0.854706 0.840335 ] [ 0.694972 0.224895 0.84596 ] [ 0.194972 0.724895 0.65404 ] [ 0.189314 0.354706 0.659665 ] [ 0.622133 0.53498 0.617361 ] [ 0.756352 0.034627 0.56041 ] [ 0.243648 0.534627 0.43959 ] [ 0.377867 0.03498 0.382639 ] [ 0.810686 0.854706 0.340335 ] [ 0.805028 0.224895 0.34596 ] [ 0.305028 0.724895 0.15404 ] [ 0.310686 0.354706 0.159665 ] [ 0.877867 0.53498 0.117361 ] [ 0.743648 0.034627 0.06041 ] ] } "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" 4.93742766 "source-unit" "angstrom" } "b" { "source-value" 6.97115055 "source-unit" "angstrom" } "c" { "source-value" 9.89862392 "source-unit" "angstrom" } }