{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.305566 0.962201 0.191454 ] [ 0.694434 0.462201 0.308546 ] [ 0.194434 0.037799 0.691454 ] [ 0.805566 0.537799 0.808546 ] [ 0.655303 0.026292 0.479272 ] [ 0.344697 0.526292 0.020728 ] [ 0.155303 0.473708 0.520728 ] [ 0.844697 0.973708 0.979272 ] [ 0.282704 0.681117 0.902166 ] [ 0.362748 0.497867 0.621054 ] [ 0.150405 0.670119 0.4337 ] [ 0.637252 0.997867 0.878946 ] [ 0.862748 0.002133 0.378946 ] [ 0.349595 0.329881 0.9337 ] [ 0.137252 0.502133 0.121054 ] [ 0.849595 0.170119 0.0663 ] [ 0.782704 0.818883 0.097834 ] [ 0.650405 0.829881 0.5663 ] [ 0.717296 0.181117 0.597834 ] [ 0.217296 0.318883 0.402166 ] [ 0.566135 0.453859 0.185343 ] [ 0.72865 0.35589 0.767595 ] [ 0.367169 0.119088 0.770368 ] [ 0.62318 0.278921 0.347512 ] [ 0.12318 0.221079 0.652488 ] [ 0.27135 0.85589 0.732405 ] [ 0.433865 0.953859 0.314657 ] [ 0.77135 0.64411 0.267595 ] [ 0.171941 0.966147 0.070105 ] [ 0.867169 0.380912 0.229632 ] [ 0.027628 0.952826 0.613753 ] [ 0.933865 0.546141 0.685343 ] [ 0.527628 0.547174 0.386247 ] [ 0.22865 0.14411 0.232405 ] [ 0.328059 0.033853 0.570105 ] [ 0.87682 0.721079 0.847512 ] [ 0.37682 0.778921 0.152488 ] [ 0.132831 0.880912 0.270368 ] [ 0.828059 0.466147 0.429895 ] [ 0.632831 0.619088 0.729632 ] [ 0.972372 0.452826 0.886247 ] [ 0.671941 0.533853 0.929895 ] [ 0.066135 0.046141 0.814657 ] [ 0.472372 0.047174 0.113753 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "S" "S" "S" "S" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.49333358 "source-unit" "angstrom" } "b" { "source-value" 9.57459991 "source-unit" "angstrom" } "c" { "source-value" 12.7793116 "source-unit" "angstrom" } }