{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmc2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.158179 0.165357 0.567537 ] [ 0.841821 0.834643 0.067537 ] [ 0.841821 0.165357 0.067537 ] [ 0.158179 0.834643 0.567537 ] [ 0.658179 0.665357 0.567537 ] [ 0.341821 0.334643 0.067537 ] [ 0.341821 0.665357 0.067537 ] [ 0.658179 0.334643 0.567537 ] [ 0.240622 0 0.503763 ] [ 0.759378 0 0.003763 ] [ 0.870956 0.788853 0.416882 ] [ 0.129044 0.211147 0.916882 ] [ 0.129044 0.788853 0.916882 ] [ 0.870956 0.211147 0.416882 ] [ 0.740622 0.5 0.503763 ] [ 0.259378 0.5 0.003763 ] [ 0.370956 0.288853 0.416882 ] [ 0.629044 0.711147 0.916882 ] [ 0.629044 0.288853 0.916882 ] [ 0.370956 0.711147 0.416882 ] ] } "species" { "source-value" [ "B" "B" "B" "B" "B" "B" "B" "B" "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" 4.67257066 "source-unit" "angstrom" } "b" { "source-value" 7.88050065 "source-unit" "angstrom" } "c" { "source-value" 4.17213687 "source-unit" "angstrom" } }