{ "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" [ [ 0.013451 0.582668 0.419475 ] [ 0.486549 0.417332 0.919475 ] [ 0.513451 0.917332 0.580525 ] [ 0.986549 0.082668 0.080525 ] [ 0.512886 0.75368 0.198117 ] [ 0.487114 0.25368 0.301883 ] [ 0.987114 0.24632 0.698117 ] [ 0.012886 0.74632 0.801883 ] [ 0.018849 0.026456 0.41625 ] [ 0.518849 0.473544 0.58375 ] [ 0.981151 0.526456 0.08375 ] [ 0.481151 0.973544 0.91625 ] [ 0.759091 0.990647 0.32679 ] [ 0.259091 0.509353 0.67321 ] [ 0.240909 0.490647 0.17321 ] [ 0.740909 0.009353 0.82679 ] [ 0.128421 0.245803 0.451996 ] [ 0.628421 0.254197 0.548004 ] [ 0.871579 0.745803 0.048004 ] [ 0.371579 0.754197 0.951996 ] [ 0.239986 0.933997 0.313426 ] [ 0.739986 0.566003 0.686574 ] [ 0.760014 0.433997 0.186574 ] [ 0.260014 0.066003 0.813426 ] [ 0.494094 0.087319 0.075303 ] [ 0.994094 0.412681 0.924697 ] [ 0.505906 0.587319 0.424697 ] [ 0.005906 0.912681 0.575303 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "La" "La" "La" "La" "Al" "Al" "Al" "Al" "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" 5.88119585 "source-unit" "angstrom" } "b" { "source-value" 7.34188167 "source-unit" "angstrom" } "c" { "source-value" 9.92757971 "source-unit" "angstrom" } }