{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.500472 0.369296 0.057399 ] [ 0.01018 0.84867 0.851479 ] [ 0.000472 0.130704 0.557399 ] [ 0.000472 0.130704 0.942601 ] [ 0.997663 0.580059 0.75 ] [ 0.500472 0.369296 0.442601 ] [ 0.499528 0.630704 0.557399 ] [ 0.48982 0.34867 0.648521 ] [ 0.002337 0.419941 0.25 ] [ 0.48982 0.34867 0.851479 ] [ 0.999528 0.869296 0.057399 ] [ 0.497663 0.919941 0.25 ] [ 0.51018 0.65133 0.148521 ] [ 0.01018 0.84867 0.648521 ] [ 0.51018 0.65133 0.351479 ] [ 0.98982 0.15133 0.351479 ] [ 0.499528 0.630704 0.942601 ] [ 0.999528 0.869296 0.442601 ] [ 0.98982 0.15133 0.148521 ] [ 0.502337 0.080059 0.75 ] [ 0.46546 0.924949 0.5763 ] [ 0.96546 0.575051 0.0763 ] [ 0.954631 0.221924 0.75 ] [ 0.454631 0.278076 0.25 ] [ 0.53454 0.075051 0.0763 ] [ 0.03454 0.424949 0.5763 ] [ 0.545369 0.721924 0.75 ] [ 0.96546 0.575051 0.4237 ] [ 0.53454 0.075051 0.4237 ] [ 0.045369 0.778076 0.25 ] [ 0.46546 0.924949 0.9237 ] [ 0.03454 0.424949 0.9237 ] [ 0.744078 0.445719 0.945796 ] [ 0.188519 0.507446 0.865332 ] [ 0.701497 0.700712 0.828915 ] [ 0.244078 0.054281 0.445796 ] [ 0.255922 0.554281 0.054204 ] [ 0.19318 0.315343 0.545864 ] [ 0.744078 0.445719 0.554204 ] [ 0.80682 0.684657 0.454136 ] [ 0.30682 0.815343 0.545864 ] [ 0.249095 0.252636 0.75 ] [ 0.798503 0.200712 0.671085 ] [ 0.188519 0.507446 0.634668 ] [ 0.19318 0.315343 0.954136 ] [ 0.244078 0.054281 0.054204 ] [ 0.755922 0.945719 0.554204 ] [ 0.255922 0.554281 0.445796 ] [ 0.69318 0.184657 0.454136 ] [ 0.811481 0.492554 0.365332 ] [ 0.688519 0.992554 0.134668 ] [ 0.750905 0.747364 0.25 ] [ 0.798503 0.200712 0.828915 ] [ 0.298503 0.299288 0.328915 ] [ 0.811481 0.492554 0.134668 ] [ 0.201497 0.799288 0.171085 ] [ 0.250905 0.752636 0.75 ] [ 0.298503 0.299288 0.171085 ] [ 0.755922 0.945719 0.945796 ] [ 0.30682 0.815343 0.954136 ] [ 0.311481 0.007446 0.865332 ] [ 0.201497 0.799288 0.328915 ] [ 0.80682 0.684657 0.045864 ] [ 0.749095 0.247364 0.25 ] [ 0.688519 0.992554 0.365332 ] [ 0.701497 0.700712 0.671085 ] [ 0.69318 0.184657 0.045864 ] [ 0.311481 0.007446 0.634668 ] [ 0.315181 0.557913 0.25 ] [ 0.684819 0.442087 0.75 ] [ 0.184819 0.057913 0.25 ] [ 0.815181 0.942087 0.75 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 4.57346946 "source-unit" "angstrom" } "b" { "source-value" 10.18582009 "source-unit" "angstrom" } "c" { "source-value" 15.0028435 "source-unit" "angstrom" } }