{ "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" [ [ 0.511161 0.040679 0.162354 ] [ 0.011161 0.459321 0.837646 ] [ 0.988839 0.959321 0.662354 ] [ 0.488839 0.540679 0.337646 ] [ 0.499613 0.663716 0.66128 ] [ 0.999613 0.836284 0.33872 ] [ 0.988897 0.528284 0.542812 ] [ 0.500387 0.163716 0.83872 ] [ 0.000387 0.336284 0.16128 ] [ 0.488897 0.971716 0.457188 ] [ 0.511103 0.471716 0.042812 ] [ 0.011103 0.028284 0.957188 ] [ 0.994241 0.701681 0.074567 ] [ 0.505759 0.298319 0.574567 ] [ 0.494241 0.798319 0.925433 ] [ 0.005759 0.201681 0.425433 ] [ 0.294155 0.157387 0.50666 ] [ 0.205845 0.842613 0.00666 ] [ 0.335462 0.481814 0.59361 ] [ 0.705845 0.657387 0.99334 ] [ 0.835462 0.018186 0.40639 ] [ 0.164538 0.518186 0.09361 ] [ 0.794155 0.342613 0.49334 ] [ 0.664538 0.981814 0.90639 ] [ 0.648651 0.368867 0.167857 ] [ 0.148651 0.131133 0.832143 ] [ 0.351349 0.868867 0.332143 ] [ 0.125397 0.29131 0.303793 ] [ 0.874603 0.79131 0.196207 ] [ 0.043852 0.152151 0.083333 ] [ 0.543852 0.347849 0.916667 ] [ 0.374603 0.70869 0.803793 ] [ 0.956148 0.652151 0.416667 ] [ 0.851349 0.631133 0.667857 ] [ 0.456148 0.847849 0.583333 ] [ 0.625397 0.20869 0.696207 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Si" "Si" "Si" "Si" "N" "N" "N" "N" "N" "N" "N" "N" "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" 4.97959488 "source-unit" "angstrom" } "b" { "source-value" 8.12866371 "source-unit" "angstrom" } "c" { "source-value" 11.4329807 "source-unit" "angstrom" } }