{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.180405 0.5 0.148648 ] [ 0.819595 0.5 0.851352 ] [ 0.884378 0.5 0.509534 ] [ 0.115622 0.5 0.490466 ] [ 0.96479 0.5 0.169244 ] [ 0.03521 0.5 0.830756 ] [ 0.680405 0 0.148648 ] [ 0.319595 0 0.851352 ] [ 0.384378 0 0.509534 ] [ 0.615622 0 0.490466 ] [ 0.46479 0 0.169244 ] [ 0.53521 0 0.830756 ] [ 0.93574 0 0.949336 ] [ 0.06426 0 0.050664 ] [ 0.088444 0 0.276981 ] [ 0.911556 0 0.723019 ] [ 0.98116 0 0.38842 ] [ 0.01884 0 0.61158 ] [ 0.43574 0.5 0.949336 ] [ 0.56426 0.5 0.050664 ] [ 0.588444 0.5 0.276981 ] [ 0.411556 0.5 0.723019 ] [ 0.48116 0.5 0.38842 ] [ 0.51884 0.5 0.61158 ] [ 0.226391 0 0.608544 ] [ 0.773609 0 0.391456 ] [ 0.797175 0.5 0.126031 ] [ 0.202825 0.5 0.873969 ] [ 0.726391 0.5 0.608544 ] [ 0.273609 0.5 0.391456 ] [ 0.297175 0 0.126031 ] [ 0.702825 0 0.873969 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 18.1910378452 "source-unit" "angstrom" } "b" { "source-value" 4.24702853 "source-unit" "angstrom" } "c" { "source-value" 10.6760096535 "source-unit" "angstrom" } "beta" { "source-value" 97.9395565099 "source-unit" "degree" } }