{ "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" [ [ 0.55874 0.78589 0.187089 ] [ 0.193219 0.28398 0.064461 ] [ 0.622948 0.269559 0.305117 ] [ 0.693219 0.21602 0.564461 ] [ 0.877052 0.769559 0.194883 ] [ 0.265768 0.272365 0.315068 ] [ 0.44126 0.21411 0.812911 ] [ 0.765768 0.227635 0.815068 ] [ 0.306781 0.78398 0.435539 ] [ 0.234232 0.772365 0.184932 ] [ 0.806781 0.71602 0.935539 ] [ 0.377052 0.730441 0.694883 ] [ 0.94126 0.28589 0.312911 ] [ 0.734232 0.727635 0.684932 ] [ 0.122948 0.230441 0.805117 ] [ 0.05874 0.71411 0.687089 ] [ 0.559418 0.235791 0.681508 ] [ 0.613966 0.742515 0.439373 ] [ 0.440582 0.764209 0.318492 ] [ 0.323844 0.25774 0.941625 ] [ 0.823844 0.24226 0.441625 ] [ 0.676156 0.74226 0.058375 ] [ 0.500144 0.276926 0.077226 ] [ 0.113966 0.757485 0.939373 ] [ 0.000144 0.223074 0.577226 ] [ 0.999856 0.776926 0.422774 ] [ 0.886034 0.242515 0.060627 ] [ 0.940582 0.735791 0.818492 ] [ 0.386034 0.257485 0.560627 ] [ 0.499856 0.723074 0.922774 ] [ 0.176156 0.75774 0.558375 ] [ 0.059418 0.264209 0.181508 ] [ 0.135297 0.270516 0.463974 ] [ 0.614367 0.727036 0.791083 ] [ 0.766186 0.755035 0.347518 ] [ 0.364703 0.770516 0.036026 ] [ 0.635297 0.229484 0.963974 ] [ 0.233814 0.244965 0.652482 ] [ 0.114367 0.772964 0.291083 ] [ 0.005771 0.22685 0.929877 ] [ 0.733814 0.255035 0.152482 ] [ 0.885633 0.227036 0.708917 ] [ 0.385633 0.272964 0.208917 ] [ 0.494229 0.72685 0.570123 ] [ 0.505771 0.27315 0.429877 ] [ 0.266186 0.744965 0.847518 ] [ 0.994229 0.77315 0.070123 ] [ 0.864703 0.729484 0.536026 ] [ 0.985504 0.494023 0.892739 ] [ 0.687381 0.251005 0.906234 ] [ 0.544961 0.749467 0.509935 ] [ 0.312619 0.748995 0.093766 ] [ 0.739594 0.221712 0.688342 ] [ 0.274178 0.814849 0.7812 ] [ 0.044961 0.750533 0.009935 ] [ 0.196122 0.954013 0.635361 ] [ 0.724608 0.386794 0.019791 ] [ 0.374098 0.283899 0.648206 ] [ 0.619303 0.924487 0.978527 ] [ 0.014496 0.505977 0.107261 ] [ 0.931284 0.980182 0.7501 ] [ 0.149841 0.150672 0.946112 ] [ 0.955039 0.249467 0.990065 ] [ 0.239594 0.278288 0.188342 ] [ 0.559119 0.501523 0.613854 ] [ 0.555946 0.733616 0.849652 ] [ 0.303878 0.454013 0.864639 ] [ 0.125902 0.783899 0.851794 ] [ 0.857609 0.563543 0.395999 ] [ 0.725822 0.185151 0.2188 ] [ 0.187381 0.248995 0.406234 ] [ 0.803878 0.045987 0.364639 ] [ 0.225822 0.314849 0.7188 ] [ 0.696122 0.545987 0.135361 ] [ 0.357609 0.936457 0.895999 ] [ 0.444054 0.266384 0.150348 ] [ 0.496418 0.627579 0.051103 ] [ 0.142391 0.436457 0.604001 ] [ 0.260406 0.778288 0.311658 ] [ 0.850159 0.849328 0.053888 ] [ 0.775392 0.886794 0.480209 ] [ 0.059119 0.998477 0.113854 ] [ 0.003582 0.127579 0.448897 ] [ 0.055946 0.766384 0.349652 ] [ 0.068716 0.019818 0.2499 ] [ 0.070698 0.52997 0.247576 ] [ 0.275392 0.613206 0.980209 ] [ 0.880697 0.424487 0.521473 ] [ 0.940881 0.001523 0.886146 ] [ 0.570698 0.97003 0.747576 ] [ 0.455039 0.250533 0.490065 ] [ 0.944054 0.233616 0.650348 ] [ 0.503582 0.372421 0.948897 ] [ 0.996418 0.872421 0.551103 ] [ 0.642391 0.063543 0.104001 ] [ 0.380697 0.075513 0.021473 ] [ 0.874098 0.216101 0.148206 ] [ 0.431284 0.519818 0.2501 ] [ 0.649841 0.349328 0.446112 ] [ 0.119303 0.575513 0.478527 ] [ 0.224608 0.113206 0.519791 ] [ 0.350159 0.650672 0.553888 ] [ 0.485504 0.005977 0.392739 ] [ 0.440881 0.498477 0.386146 ] [ 0.929302 0.47003 0.752424 ] [ 0.812619 0.751005 0.593766 ] [ 0.514496 0.994023 0.607261 ] [ 0.760406 0.721712 0.811658 ] [ 0.625902 0.716101 0.351794 ] [ 0.774178 0.685151 0.2812 ] [ 0.568716 0.480182 0.7499 ] [ 0.429302 0.02997 0.252424 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "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" "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" 12.2952702981 "source-unit" "angstrom" } "b" { "source-value" 5.72077912 "source-unit" "angstrom" } "c" { "source-value" 24.3011473991 "source-unit" "angstrom" } "beta" { "source-value" 103.613011247 "source-unit" "degree" } }