{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm2_1n" } "basis-atom-coordinates" { "source-value" [ [ 0 0.769847 0.483193 ] [ 0 0.501912 0.830981 ] [ 0.5 0.001912 0.169019 ] [ 0.5 0.269847 0.516807 ] [ 0.5 0.797114 0.685166 ] [ 0 0.297114 0.314834 ] [ 0.5 0.369712 0.983438 ] [ 0 0.869712 0.016562 ] [ 0.5 0.594971 0.313592 ] [ 0 0.094971 0.686408 ] [ 0.19007 0.176709 0.722741 ] [ 0.5 0.470005 0.88241 ] [ 0.5 0.917769 0.541392 ] [ 0.80993 0.176709 0.722741 ] [ 0.695865 0.318413 0.033218 ] [ 0 0.970005 0.11759 ] [ 0.758874 0.144295 0.343794 ] [ 0.304135 0.318413 0.033218 ] [ 0.241126 0.144295 0.343794 ] [ 0.258874 0.644295 0.656206 ] [ 0 0.417769 0.458608 ] [ 0.30993 0.676709 0.277259 ] [ 0.741126 0.644295 0.656206 ] [ 0.69007 0.676709 0.277259 ] [ 0.195865 0.818413 0.966782 ] [ 0.804135 0.818413 0.966782 ] ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" "Se" "Se" "N" "N" "N" "N" "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" 5.62790594944 "source-unit" "angstrom" } "b" { "source-value" 6.95379218973 "source-unit" "angstrom" } "c" { "source-value" 10.5014157446 "source-unit" "angstrom" } }