{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I2cm" } "basis-atom-coordinates" { "source-value" [ [ 0.508048 0.008893 0.889208 ] [ 0.508048 0.991107 0.110792 ] [ 0.008048 0.491107 0.889208 ] [ 0.008048 0.508893 0.110792 ] [ 0.008048 0.508893 0.389208 ] [ 0.008048 0.491107 0.610792 ] [ 0.508048 0.991107 0.389208 ] [ 0.508048 0.008893 0.610792 ] [ 0.010107 0 0 ] [ 0.510107 0.5 0 ] [ 0.976775 0.936886 0.75 ] [ 0.976775 0.063114 0.25 ] [ 0.510107 0.5 0.5 ] [ 0.010107 0 0.5 ] [ 0.476775 0.436886 0.25 ] [ 0.476775 0.563114 0.75 ] [ 0.258454 0.251422 0.003502 ] [ 0.258454 0.748578 0.996498 ] [ 0.758454 0.248578 0.003502 ] [ 0.758454 0.751422 0.996498 ] [ 0.022493 0.030795 0.855962 ] [ 0.022493 0.969205 0.144038 ] [ 0.522493 0.469205 0.855962 ] [ 0.522493 0.530795 0.144038 ] [ 0.624229 0.881352 0.75 ] [ 0.124229 0.618648 0.75 ] [ 0.758454 0.751422 0.503502 ] [ 0.758454 0.248578 0.496498 ] [ 0.258454 0.748578 0.503502 ] [ 0.258454 0.251422 0.496498 ] [ 0.522493 0.530795 0.355962 ] [ 0.522493 0.469205 0.644038 ] [ 0.022493 0.969205 0.355962 ] [ 0.022493 0.030795 0.644038 ] [ 0.124229 0.381352 0.25 ] [ 0.624229 0.118648 0.25 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "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" 5.43795910771 "source-unit" "angstrom" } "b" { "source-value" 5.5306870881 "source-unit" "angstrom" } "c" { "source-value" 16.2837997371 "source-unit" "angstrom" } }