{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1nm" } "basis-atom-coordinates" { "source-value" [ [ 0.459295 0.650489 0.5 ] [ 0.959295 0.349511 0 ] [ 0.339579 0.829477 0.119897 ] [ 0.839579 0.170523 0.380103 ] [ 0.839579 0.170523 0.619897 ] [ 0.339579 0.829477 0.880103 ] [ 0.356932 0.314911 0.247779 ] [ 0.856932 0.685089 0.252221 ] [ 0.856932 0.685089 0.747779 ] [ 0.356932 0.314911 0.752221 ] [ 0.964887 0.328849 0.248182 ] [ 0.464887 0.671151 0.251818 ] [ 0.464887 0.671151 0.748182 ] [ 0.964887 0.328849 0.751818 ] [ 0.960053 0.802238 0.116839 ] [ 0.460053 0.197762 0.383161 ] [ 0.460053 0.197762 0.616839 ] [ 0.960053 0.802238 0.883161 ] [ 0.441567 0.175836 0.113677 ] [ 0.941567 0.824164 0.386323 ] [ 0.455077 0.638362 0 ] [ 0.955077 0.361638 0.5 ] [ 0.441567 0.175836 0.886323 ] [ 0.941567 0.824164 0.613677 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.03044815 "source-unit" "angstrom" } "b" { "source-value" 6.33466261 "source-unit" "angstrom" } "c" { "source-value" 15.0294196 "source-unit" "angstrom" } }