{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmb" } "basis-atom-coordinates" { "source-value" [ [ 0.774488 0.137545 0.63984 ] [ 0.774488 0.862455 0.86016 ] [ 0.24659 0.063812 0.698421 ] [ 0.229845 0.94096 0.483719 ] [ 0.225512 0.362455 0.13984 ] [ 0.773238 0.75 0.070712 ] [ 0.225512 0.862455 0.36016 ] [ 0.773238 0.25 0.429288 ] [ 0.234092 0.25 0.357986 ] [ 0.234092 0.75 0.142014 ] [ 0.75341 0.563812 0.301579 ] [ 0.229845 0.05904 0.016281 ] [ 0.225512 0.137545 0.13984 ] [ 0.24659 0.936188 0.801579 ] [ 0.770155 0.05904 0.516281 ] [ 0.765908 0.75 0.642014 ] [ 0.225512 0.637545 0.36016 ] [ 0.774488 0.362455 0.63984 ] [ 0.75341 0.436188 0.198421 ] [ 0.229845 0.55904 0.483719 ] [ 0.75341 0.936188 0.301579 ] [ 0.765908 0.25 0.857986 ] [ 0.774488 0.637545 0.86016 ] [ 0.226762 0.25 0.929288 ] [ 0.24659 0.436188 0.698421 ] [ 0.770155 0.44096 0.516281 ] [ 0.770155 0.94096 0.983719 ] [ 0.226762 0.75 0.570712 ] [ 0.24659 0.563812 0.801579 ] [ 0.75341 0.063812 0.198421 ] [ 0.770155 0.55904 0.983719 ] [ 0.229845 0.44096 0.016281 ] [ 0.496485 0.75 0.76347 ] [ 0.503515 0.25 0.23653 ] [ 0.468937 0.939272 0.604699 ] [ 0.500882 0.25 0.545525 ] [ 0.228793 0.418875 0.283625 ] [ 0.228793 0.581125 0.216375 ] [ 0.228793 0.081125 0.283625 ] [ 0.771207 0.581125 0.716375 ] [ 0.496485 0.25 0.73653 ] [ 0.228793 0.918875 0.216375 ] [ 0.771207 0.418875 0.783625 ] [ 0.531063 0.060728 0.395301 ] [ 0.500882 0.75 0.954475 ] [ 0.468937 0.439272 0.895301 ] [ 0.771207 0.081125 0.783625 ] [ 0.531063 0.439272 0.395301 ] [ 0.503515 0.75 0.26347 ] [ 0.468937 0.560728 0.604699 ] [ 0.771207 0.918875 0.716375 ] [ 0.531063 0.939272 0.104699 ] [ 0.499118 0.25 0.045525 ] [ 0.531063 0.560728 0.104699 ] [ 0.468937 0.060728 0.895301 ] [ 0.499118 0.75 0.454475 ] [ 0.265242 0.652291 0.032491 ] [ 0.036347 0.444494 0.385882 ] [ 0.963653 0.555506 0.614118 ] [ 0.734758 0.152291 0.967509 ] [ 0.748324 0.594013 0.423409 ] [ 0.729787 0.643101 0.189742 ] [ 0.251676 0.905987 0.923409 ] [ 0.018163 0.75 0.260327 ] [ 0.729787 0.143101 0.310258 ] [ 0.978203 0.75 0.954405 ] [ 0.270213 0.356899 0.810258 ] [ 0.978203 0.25 0.545595 ] [ 0.036347 0.055506 0.385882 ] [ 0.748324 0.094013 0.076591 ] [ 0.737645 0.75 0.356319 ] [ 0.265242 0.847709 0.032491 ] [ 0.251676 0.094013 0.576591 ] [ 0.729787 0.856899 0.189742 ] [ 0.251676 0.594013 0.923409 ] [ 0.036347 0.555506 0.114118 ] [ 0.734758 0.652291 0.532491 ] [ 0.021797 0.25 0.045595 ] [ 0.748324 0.905987 0.423409 ] [ 0.036347 0.944494 0.114118 ] [ 0.963653 0.444494 0.885882 ] [ 0.270213 0.643101 0.689742 ] [ 0.021797 0.75 0.454405 ] [ 0.734758 0.347709 0.967509 ] [ 0.265242 0.152291 0.467509 ] [ 0.981837 0.25 0.739673 ] [ 0.262355 0.75 0.856319 ] [ 0.262355 0.25 0.643681 ] [ 0.963653 0.055506 0.885882 ] [ 0.981837 0.75 0.760327 ] [ 0.748324 0.405987 0.076591 ] [ 0.251676 0.405987 0.576591 ] [ 0.265242 0.347709 0.467509 ] [ 0.734758 0.847709 0.532491 ] [ 0.737645 0.25 0.143681 ] [ 0.270213 0.143101 0.810258 ] [ 0.963653 0.944494 0.614118 ] [ 0.729787 0.356899 0.310258 ] [ 0.270213 0.856899 0.689742 ] [ 0.018163 0.25 0.239673 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.62213623 "source-unit" "angstrom" } "b" { "source-value" 15.29192884 "source-unit" "angstrom" } "c" { "source-value" 26.16939866 "source-unit" "angstrom" } }