{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0 0.238872 0.116157 ] [ 0 0.761128 0.883843 ] [ 0 0.738872 0.383843 ] [ 0 0.261128 0.616157 ] [ 0.5 0.000069 0.281458 ] [ 0.5 0.999931 0.718542 ] [ 0.5 0.500069 0.218542 ] [ 0.5 0.499931 0.781458 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0 0 0.5 ] [ 0 0.272098 0.361102 ] [ 0 0.727902 0.638898 ] [ 0 0.772098 0.138898 ] [ 0 0.227902 0.861102 ] [ 0 0.151416 0.958563 ] [ 0 0.848584 0.041437 ] [ 0 0.651416 0.541437 ] [ 0 0.348584 0.458563 ] [ 0.5 0.110036 0.143008 ] [ 0.5 0.889964 0.856992 ] [ 0.5 0.610036 0.356992 ] [ 0.5 0.389964 0.643008 ] [ 0 0.124145 0.359623 ] [ 0 0.875855 0.640377 ] [ 0 0.624145 0.140377 ] [ 0 0.375855 0.859623 ] [ 0.5 0.381387 0.079002 ] [ 0.5 0.618613 0.920998 ] [ 0.5 0.881387 0.420998 ] [ 0.5 0.118613 0.579002 ] [ 0 0.347218 0.262928 ] [ 0 0.652782 0.737072 ] [ 0 0.847218 0.237072 ] [ 0 0.152782 0.762928 ] ] } "species" { "source-value" [ "Ga" "Ga" "Ga" "Ga" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "B" "B" "B" "B" "O" "O" "O" "O" "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" 3.00063171 "source-unit" "angstrom" } "b" { "source-value" 9.32574262 "source-unit" "angstrom" } "c" { "source-value" 12.28843356 "source-unit" "angstrom" } }