{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.362539 0.383343 0.933189 ] [ 0.862539 0.116657 0.933189 ] [ 0.333472 0.076928 0.725607 ] [ 0.833472 0.423072 0.725607 ] [ 0.377633 0.693399 0.635607 ] [ 0.877633 0.806601 0.635607 ] [ 0.122367 0.193399 0.364393 ] [ 0.622367 0.306601 0.364393 ] [ 0.166528 0.576928 0.274393 ] [ 0.666528 0.923072 0.274393 ] [ 0.137461 0.883343 0.066811 ] [ 0.637461 0.616657 0.066811 ] [ 0.111764 0.636543 0.908405 ] [ 0.611764 0.863457 0.908405 ] [ 0.306749 0.412399 0.604525 ] [ 0.806749 0.087601 0.604525 ] [ 0.193251 0.912399 0.395475 ] [ 0.693251 0.587601 0.395475 ] [ 0.388236 0.136543 0.091595 ] [ 0.888236 0.363457 0.091595 ] [ 0.396663 0.203388 0.942309 ] [ 0.324181 0.565531 0.927708 ] [ 0.896663 0.296612 0.942309 ] [ 0.824181 0.934469 0.927708 ] [ 0.4074 0.936137 0.86998 ] [ 0.9074 0.563863 0.86998 ] [ 0.127564 0.722924 0.777433 ] [ 0.013061 0.085946 0.724984 ] [ 0.627564 0.777076 0.777433 ] [ 0.133442 0.373834 0.698012 ] [ 0.513061 0.414054 0.724984 ] [ 0.633442 0.126166 0.698012 ] [ 0.260421 0.533643 0.532426 ] [ 0.171295 0.822173 0.519353 ] [ 0.760421 0.966357 0.532426 ] [ 0.328705 0.322173 0.480647 ] [ 0.671295 0.677827 0.519353 ] [ 0.239579 0.033643 0.467574 ] [ 0.828705 0.177827 0.480647 ] [ 0.739579 0.466357 0.467574 ] [ 0.366558 0.873834 0.301988 ] [ 0.486939 0.585946 0.275016 ] [ 0.866558 0.626166 0.301988 ] [ 0.372436 0.222924 0.222567 ] [ 0.986939 0.914054 0.275016 ] [ 0.872436 0.277076 0.222567 ] [ 0.0926 0.436137 0.13002 ] [ 0.5926 0.063863 0.13002 ] [ 0.175819 0.065531 0.072292 ] [ 0.103337 0.703388 0.057691 ] [ 0.675819 0.434469 0.072292 ] [ 0.603337 0.796612 0.057691 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "P" "P" "P" "P" "P" "P" "P" "P" "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" 6.34730704 "source-unit" "angstrom" } "b" { "source-value" 11.62096409 "source-unit" "angstrom" } "c" { "source-value" 9.00104873 "source-unit" "angstrom" } "beta" { "source-value" 99.27635709 "source-unit" "degree" } }