{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pb2_1a" } "basis-atom-coordinates" { "source-value" [ [ 0.062512 0.035005 0.249165 ] [ 0.551547 0.213455 0.996356 ] [ 0.551547 0.286545 0.496356 ] [ 0.062512 0.464995 0.749165 ] [ 0.937488 0.535005 0.249165 ] [ 0.448453 0.713455 0.996356 ] [ 0.448453 0.786545 0.496356 ] [ 0.937488 0.964995 0.749165 ] [ 0.92558 0.03263 0.499075 ] [ 0.557597 0.21602 0.248092 ] [ 0.557597 0.28398 0.748092 ] [ 0.92558 0.46737 0.999075 ] [ 0.07442 0.53263 0.499075 ] [ 0.442403 0.71602 0.248092 ] [ 0.442403 0.78398 0.748092 ] [ 0.07442 0.96737 0.999075 ] [ 0.435301 0.032175 0.62405 ] [ 0.056092 0.216577 0.872603 ] [ 0.056092 0.283423 0.372603 ] [ 0.435301 0.467825 0.12405 ] [ 0.564699 0.532175 0.62405 ] [ 0.943908 0.716577 0.872603 ] [ 0.943908 0.783423 0.372603 ] [ 0.564699 0.967825 0.12405 ] [ 0.877462 0.998796 0.117381 ] [ 0.574782 0.972291 0.525859 ] [ 0.44668 0.038994 0.222106 ] [ 0.995209 0.060027 0.878278 ] [ 0.496441 0.188664 0.629018 ] [ 0.923387 0.216193 0.469736 ] [ 0.925528 0.282172 0.774696 ] [ 0.369953 0.244704 0.867986 ] [ 0.369953 0.255296 0.367986 ] [ 0.925528 0.217828 0.274696 ] [ 0.923387 0.283807 0.969736 ] [ 0.496441 0.311336 0.129018 ] [ 0.995209 0.439973 0.378278 ] [ 0.44668 0.461006 0.722106 ] [ 0.574782 0.527709 0.025859 ] [ 0.877462 0.501204 0.617381 ] [ 0.122538 0.498796 0.117381 ] [ 0.425218 0.472291 0.525859 ] [ 0.55332 0.538994 0.222106 ] [ 0.004791 0.560027 0.878278 ] [ 0.503559 0.688664 0.629018 ] [ 0.076613 0.716193 0.469736 ] [ 0.074472 0.782172 0.774696 ] [ 0.630047 0.744704 0.867986 ] [ 0.630047 0.755296 0.367986 ] [ 0.074472 0.717828 0.274696 ] [ 0.076613 0.783807 0.969736 ] [ 0.503559 0.811336 0.129018 ] [ 0.004791 0.939973 0.378278 ] [ 0.55332 0.961006 0.722106 ] [ 0.425218 0.027709 0.025859 ] [ 0.122538 0.001204 0.617381 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "V" "V" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.15732402 "source-unit" "angstrom" } "b" { "source-value" 10.31523199 "source-unit" "angstrom" } "c" { "source-value" 13.70664446 "source-unit" "angstrom" } }