{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.389645 0.480665 0.120136 ] [ 0.610355 0.519335 0.879864 ] [ 0.436365 0.776868 0.264752 ] [ 0.563635 0.223132 0.735248 ] [ 0.623698 0.586554 0.35332 ] [ 0.376302 0.413446 0.64668 ] [ 0.823467 0.654759 0.203675 ] [ 0.176533 0.345241 0.796325 ] [ 0.631172 0.838719 0.111561 ] [ 0.368828 0.161281 0.888439 ] [ 0.856659 0.943643 0.347914 ] [ 0.143341 0.056357 0.652086 ] [ 0.432369 0.34616 0.798693 ] [ 0.567631 0.65384 0.201307 ] [ 0.314095 0.230217 0.738366 ] [ 0.685905 0.769783 0.261634 ] [ 0.386692 0.312732 0.269853 ] [ 0.613308 0.687268 0.730147 ] [ 0.133667 0.555575 0.149804 ] [ 0.866333 0.444425 0.850196 ] [ 0.626082 0.380205 0.061464 ] [ 0.373918 0.619795 0.938536 ] [ 0.120947 0.205311 0.481812 ] [ 0.879053 0.794689 0.518188 ] [ 0.61841 0.031118 0.389973 ] [ 0.38159 0.968882 0.610027 ] [ 0.117973 0.870241 0.30626 ] [ 0.882027 0.129759 0.69374 ] [ 0.138827 0.523072 0.65489 ] [ 0.861173 0.476928 0.34511 ] [ 0.609555 0.365937 0.570352 ] [ 0.390445 0.634063 0.429648 ] [ 0.148143 0.223814 0.975432 ] [ 0.851857 0.776186 0.024568 ] [ 0.616626 0.061219 0.893037 ] [ 0.383374 0.938781 0.106963 ] [ 0.130338 0.894796 0.813109 ] [ 0.869662 0.105204 0.186891 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "C" "C" "C" "C" "I" "I" "I" "I" "I" "I" "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" 9.32546686184 "source-unit" "angstrom" } "b" { "source-value" 10.4713123862 "source-unit" "angstrom" } "c" { "source-value" 14.6105894096 "source-unit" "angstrom" } "alpha" { "source-value" 90.8558584256 "source-unit" "degree" } "beta" { "source-value" 104.528333225 "source-unit" "degree" } "gamma" { "source-value" 110.471458208 "source-unit" "degree" } }