{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/nmc" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.75 0.835687 ] [ 0.75 0.75 0.335687 ] [ 0.25 0.25 0.164313 ] [ 0.25 0.25 0.664313 ] [ 0.933282 0.75 0.660869 ] [ 0.50402 0.452797 0.080953 ] [ 0.594097 0.25 0.648337 ] [ 0.066718 0.25 0.339131 ] [ 0.952797 0.00402 0.419047 ] [ 0.25 0.594097 0.148337 ] [ 0.75 0.094097 0.851663 ] [ 0.905903 0.25 0.648337 ] [ 0.75 0.25 0.021949 ] [ 0.49598 0.952797 0.919047 ] [ 0.99598 0.452797 0.080953 ] [ 0.952797 0.49598 0.419047 ] [ 0.25 0.905903 0.148337 ] [ 0.99598 0.047203 0.080953 ] [ 0.452797 0.99598 0.580953 ] [ 0.75 0.405903 0.851663 ] [ 0.25 0.75 0.521949 ] [ 0.00402 0.547203 0.919047 ] [ 0.047203 0.50402 0.580953 ] [ 0.00402 0.952797 0.919047 ] [ 0.547203 0.49598 0.419047 ] [ 0.094097 0.75 0.351663 ] [ 0.50402 0.047203 0.080953 ] [ 0.75 0.933282 0.160869 ] [ 0.566718 0.75 0.660869 ] [ 0.25 0.75 0.978051 ] [ 0.75 0.25 0.478051 ] [ 0.547203 0.00402 0.419047 ] [ 0.047203 0.99598 0.580953 ] [ 0.75 0.566718 0.160869 ] [ 0.49598 0.547203 0.919047 ] [ 0.452797 0.50402 0.580953 ] [ 0.405903 0.75 0.351663 ] [ 0.25 0.433282 0.839131 ] [ 0.25 0.066718 0.839131 ] [ 0.433282 0.25 0.339131 ] [ 0.472079 0.25 0.500113 ] [ 0.994656 0.494656 0.25 ] [ 0.25 0.472079 0.000113 ] [ 0.994656 0.005344 0.25 ] [ 0.75 0.972079 0.999887 ] [ 0.75 0.527921 0.999887 ] [ 0.972079 0.75 0.499887 ] [ 0.494656 0.505344 0.75 ] [ 0.505344 0.494656 0.25 ] [ 0.005344 0.505344 0.75 ] [ 0.005344 0.994656 0.75 ] [ 0.25 0.027921 0.000113 ] [ 0.505344 0.005344 0.25 ] [ 0.527921 0.75 0.499887 ] [ 0.494656 0.994656 0.75 ] [ 0.027921 0.25 0.500113 ] [ 0.511954 0.75 0.18837 ] [ 0.488046 0.25 0.81163 ] [ 0.906832 0.25 0.193372 ] [ 0.111803 0.25 0.970806 ] [ 0.888197 0.75 0.029194 ] [ 0.25 0.011954 0.31163 ] [ 0.406832 0.75 0.806628 ] [ 0.388197 0.25 0.970806 ] [ 0.593168 0.25 0.193372 ] [ 0.75 0.093168 0.306628 ] [ 0.611803 0.75 0.029194 ] [ 0.25 0.488046 0.31163 ] [ 0.75 0.511954 0.68837 ] [ 0.75 0.611803 0.529194 ] [ 0.25 0.388197 0.470806 ] [ 0.093168 0.75 0.806628 ] [ 0.75 0.988046 0.68837 ] [ 0.75 0.406832 0.306628 ] [ 0.25 0.111803 0.470806 ] [ 0.011954 0.25 0.81163 ] [ 0.75 0.888197 0.529194 ] [ 0.25 0.906832 0.693372 ] [ 0.25 0.593168 0.693372 ] [ 0.988046 0.75 0.18837 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.65512623 "source-unit" "angstrom" } "c" { "source-value" 15.15536376 "source-unit" "angstrom" } }