{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R3c" } "basis-atom-coordinates" { "source-value" [ [ 0.135992 0.45979 0.552624 ] [ 0.802658 0.793123 0.885957 ] [ 0.469325 0.126456 0.219291 ] [ 0.323798 0.864008 0.552624 ] [ 0.990465 0.197342 0.885957 ] [ 0.657131 0.530675 0.219291 ] [ 0.54021 0.676202 0.552624 ] [ 0.206877 0.009535 0.885957 ] [ 0.873544 0.342869 0.219291 ] [ 0.990465 0.793123 0.385957 ] [ 0.657131 0.126456 0.719291 ] [ 0.323798 0.45979 0.052624 ] [ 0.802658 0.009535 0.385957 ] [ 0.469325 0.342869 0.719291 ] [ 0.135992 0.676202 0.052624 ] [ 0.206877 0.197342 0.385957 ] [ 0.873544 0.530675 0.719291 ] [ 0.54021 0.864008 0.052624 ] [ 0.535249 0.858663 0.539914 ] [ 0.201916 0.191997 0.873247 ] [ 0.868582 0.52533 0.20658 ] [ 0.323414 0.464751 0.539914 ] [ 0.990081 0.798084 0.873247 ] [ 0.656748 0.131418 0.20658 ] [ 0.141337 0.676586 0.539914 ] [ 0.808003 0.009919 0.873247 ] [ 0.47467 0.343252 0.20658 ] [ 0.990081 0.191997 0.373247 ] [ 0.656748 0.52533 0.70658 ] [ 0.323414 0.858663 0.039914 ] [ 0.201916 0.009919 0.373247 ] [ 0.868582 0.343252 0.70658 ] [ 0.535249 0.676586 0.039914 ] [ 0.808003 0.798084 0.373247 ] [ 0.47467 0.131418 0.70658 ] [ 0.141337 0.464751 0.039914 ] [ 0.452396 0.752935 0.662588 ] [ 0.119063 0.086269 0.995921 ] [ 0.785729 0.419602 0.329255 ] [ 0.300539 0.547604 0.662588 ] [ 0.967206 0.880937 0.995921 ] [ 0.633873 0.214271 0.329255 ] [ 0.247065 0.699461 0.662588 ] [ 0.913731 0.032794 0.995921 ] [ 0.580398 0.366127 0.329255 ] [ 0.967206 0.086269 0.495921 ] [ 0.633873 0.419602 0.829255 ] [ 0.300539 0.752935 0.162588 ] [ 0.119063 0.032794 0.495921 ] [ 0.785729 0.366127 0.829255 ] [ 0.452396 0.699461 0.162588 ] [ 0.913731 0.880937 0.495921 ] [ 0.580398 0.214271 0.829255 ] [ 0.247065 0.547604 0.162588 ] [ 0.934255 0.612904 0.395098 ] [ 0.600922 0.946238 0.728431 ] [ 0.267589 0.279571 0.061764 ] [ 0.678649 0.065745 0.395098 ] [ 0.345316 0.399078 0.728431 ] [ 0.011982 0.732411 0.061764 ] [ 0.387096 0.321351 0.395098 ] [ 0.053762 0.654684 0.728431 ] [ 0.720429 0.988018 0.061764 ] [ 0.011982 0.279571 0.561764 ] [ 0.678649 0.612904 0.895098 ] [ 0.345316 0.946238 0.228431 ] [ 0.267589 0.988018 0.561764 ] [ 0.934255 0.321351 0.895098 ] [ 0.600922 0.654684 0.228431 ] [ 0.720429 0.732411 0.561764 ] [ 0.387096 0.065745 0.895098 ] [ 0.053762 0.399078 0.228431 ] [ 0.616346 0.841064 0.391754 ] [ 0.283013 0.174397 0.725087 ] [ 0.94968 0.507731 0.058421 ] [ 0.224718 0.383654 0.391754 ] [ 0.891384 0.716987 0.725087 ] [ 0.558051 0.05032 0.058421 ] [ 0.158936 0.775282 0.391754 ] [ 0.825603 0.108616 0.725087 ] [ 0.492269 0.441949 0.058421 ] [ 0.891384 0.174397 0.225087 ] [ 0.558051 0.507731 0.558421 ] [ 0.224718 0.841064 0.891754 ] [ 0.283013 0.108616 0.225087 ] [ 0.94968 0.441949 0.558421 ] [ 0.616346 0.775282 0.891754 ] [ 0.825603 0.716987 0.225087 ] [ 0.492269 0.05032 0.558421 ] [ 0.158936 0.383654 0.891754 ] [ 0.141338 0.229079 0.704823 ] [ 0.808004 0.562413 0.038156 ] [ 0.474671 0.895746 0.371489 ] [ 0.087742 0.858662 0.704823 ] [ 0.754408 0.191996 0.038156 ] [ 0.421075 0.525329 0.371489 ] [ 0.770921 0.912258 0.704823 ] [ 0.437587 0.245592 0.038156 ] [ 0.104254 0.578925 0.371489 ] [ 0.754408 0.562413 0.538156 ] [ 0.421075 0.895746 0.871489 ] [ 0.087742 0.229079 0.204823 ] [ 0.808004 0.245592 0.538156 ] [ 0.474671 0.578925 0.871489 ] [ 0.141338 0.912258 0.204823 ] [ 0.437587 0.191996 0.538156 ] [ 0.104254 0.525329 0.871489 ] [ 0.770921 0.858662 0.204823 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "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" 25.5353051688 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }