{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbca" } "basis-atom-coordinates" { "source-value" [ [ 0.16771 0.89323 0.114504 ] [ 0.33229 0.89323 0.614504 ] [ 0.855348 0.885292 0.398887 ] [ 0.644652 0.885292 0.898887 ] [ 0.600871 0.880923 0.161877 ] [ 0.899129 0.880923 0.661877 ] [ 0.412046 0.877586 0.354668 ] [ 0.087954 0.877586 0.854668 ] [ 0.135954 0.845918 0.381384 ] [ 0.364046 0.845918 0.881384 ] [ 0.864046 0.654082 0.881384 ] [ 0.635954 0.654082 0.381384 ] [ 0.912046 0.622414 0.354668 ] [ 0.587954 0.622414 0.854668 ] [ 0.399129 0.619077 0.661877 ] [ 0.100871 0.619077 0.161877 ] [ 0.355348 0.614708 0.398887 ] [ 0.144652 0.614708 0.898887 ] [ 0.83229 0.60677 0.614504 ] [ 0.66771 0.60677 0.114504 ] [ 0.33229 0.39323 0.885496 ] [ 0.16771 0.39323 0.385496 ] [ 0.855348 0.385292 0.101113 ] [ 0.644652 0.385292 0.601113 ] [ 0.600871 0.380923 0.338123 ] [ 0.899129 0.380923 0.838123 ] [ 0.412046 0.377586 0.145332 ] [ 0.087954 0.377586 0.645332 ] [ 0.364046 0.345918 0.618616 ] [ 0.135954 0.345918 0.118616 ] [ 0.864046 0.154082 0.618616 ] [ 0.635954 0.154082 0.118616 ] [ 0.912046 0.122414 0.145332 ] [ 0.587954 0.122414 0.645332 ] [ 0.399129 0.119077 0.838123 ] [ 0.100871 0.119077 0.338123 ] [ 0.355348 0.114708 0.101113 ] [ 0.144652 0.114708 0.601113 ] [ 0.83229 0.10677 0.885496 ] [ 0.66771 0.10677 0.385496 ] [ 0.885135 0.853945 0.127024 ] [ 0.614865 0.853945 0.627024 ] [ 0.114865 0.646055 0.627024 ] [ 0.385135 0.646055 0.127024 ] [ 0.885135 0.353945 0.372976 ] [ 0.614865 0.353945 0.872976 ] [ 0.385135 0.146055 0.372976 ] [ 0.114865 0.146055 0.872976 ] [ 0.770161 0.977092 0.050548 ] [ 0.729839 0.977092 0.550548 ] [ 0.99678 0.948563 0.242268 ] [ 0.50322 0.948563 0.742268 ] [ 0.998886 0.759908 0.019898 ] [ 0.501114 0.759908 0.519898 ] [ 0.776984 0.755334 0.23815 ] [ 0.723016 0.755334 0.73815 ] [ 0.276984 0.744666 0.23815 ] [ 0.223016 0.744666 0.73815 ] [ 0.001114 0.740092 0.519898 ] [ 0.498886 0.740092 0.019898 ] [ 0.49678 0.551437 0.242268 ] [ 0.00322 0.551437 0.742268 ] [ 0.229839 0.522908 0.550548 ] [ 0.270161 0.522908 0.050548 ] [ 0.729839 0.477092 0.949452 ] [ 0.770161 0.477092 0.449452 ] [ 0.99678 0.448563 0.257732 ] [ 0.50322 0.448563 0.757732 ] [ 0.501114 0.259908 0.980102 ] [ 0.998886 0.259908 0.480102 ] [ 0.776984 0.255334 0.26185 ] [ 0.723016 0.255334 0.76185 ] [ 0.276984 0.244666 0.26185 ] [ 0.223016 0.244666 0.76185 ] [ 0.001114 0.240092 0.980102 ] [ 0.498886 0.240092 0.480102 ] [ 0.00322 0.051437 0.757732 ] [ 0.49678 0.051437 0.257732 ] [ 0.229839 0.022908 0.949452 ] [ 0.270161 0.022908 0.449452 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "V" "V" "V" "V" "V" "V" "V" "V" "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.44382781 "source-unit" "angstrom" } "b" { "source-value" 10.69326927 "source-unit" "angstrom" } "c" { "source-value" 10.82132299 "source-unit" "angstrom" } }