{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.13499 0.25 ] [ 0.5 0.86501 0.75 ] [ 0 0.63499 0.25 ] [ 0 0.36501 0.75 ] [ 0 0.000015 0.75 ] [ 0 0.999985 0.25 ] [ 0.5 0.500015 0.75 ] [ 0.5 0.499985 0.25 ] [ 0.877478 0.176802 0.410721 ] [ 0.122522 0.176802 0.089279 ] [ 0.122522 0.823198 0.589279 ] [ 0.877478 0.823198 0.910721 ] [ 0.696117 0.93764 0.264562 ] [ 0.303883 0.93764 0.235438 ] [ 0.303883 0.06236 0.735438 ] [ 0.696117 0.06236 0.764562 ] [ 0.377478 0.676802 0.410721 ] [ 0.622522 0.676802 0.089279 ] [ 0.622522 0.323198 0.589279 ] [ 0.377478 0.323198 0.910721 ] [ 0.196117 0.43764 0.264562 ] [ 0.803883 0.43764 0.235438 ] [ 0.803883 0.56236 0.735438 ] [ 0.196117 0.56236 0.764562 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "La" "La" "La" "La" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.3373041108 "source-unit" "angstrom" } "b" { "source-value" 15.0263531956 "source-unit" "angstrom" } "c" { "source-value" 7.55911086114 "source-unit" "angstrom" } "beta" { "source-value" 124.9421825 "source-unit" "degree" } }