{ "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" [ [ 0.240937 0.095402 0.175577 ] [ 0.740937 0.404598 0.675577 ] [ 0.259063 0.595402 0.324423 ] [ 0.759063 0.904598 0.824423 ] [ 0.825043 0.703003 0.58484 ] [ 0.840426 0.853029 0.19416 ] [ 0.340426 0.646971 0.69416 ] [ 0.674957 0.203003 0.91516 ] [ 0.174957 0.296997 0.41516 ] [ 0.159574 0.146971 0.80584 ] [ 0.659574 0.353029 0.30584 ] [ 0.703304 0.095559 0.510072 ] [ 0.296696 0.904441 0.489928 ] [ 0.796696 0.595559 0.989928 ] [ 0.325043 0.796997 0.08484 ] [ 0.203304 0.404441 0.010072 ] [ 0.425086 0.596426 0.35904 ] [ 0.074914 0.096426 0.14096 ] [ 0.593227 0.906561 0.790961 ] [ 0.906773 0.406561 0.709039 ] [ 0.093227 0.593439 0.290961 ] [ 0.406773 0.093439 0.209039 ] [ 0.925086 0.903574 0.85904 ] [ 0.574914 0.403574 0.64096 ] [ 0.622945 0.592292 0.963351 ] [ 0.706898 0.396706 0.471392 ] [ 0.377055 0.407708 0.036649 ] [ 0.832606 0.479418 0.09128 ] [ 0.729295 0.011785 0.650601 ] [ 0.386248 0.718562 0.837007 ] [ 0.315963 0.269423 0.550808 ] [ 0.268055 0.210478 0.332789 ] [ 0.180294 0.302839 0.87785 ] [ 0.731945 0.789522 0.667211 ] [ 0.737918 0.222089 0.609823 ] [ 0.086034 0.17287 0.423269 ] [ 0.231945 0.710478 0.167211 ] [ 0.819706 0.697161 0.12215 ] [ 0.935464 0.66911 0.737301 ] [ 0.332606 0.020582 0.59128 ] [ 0.27817 0.419725 0.39 ] [ 0.599777 0.107149 0.988235 ] [ 0.667394 0.979418 0.40872 ] [ 0.762082 0.722089 0.890177 ] [ 0.33416 0.160258 0.838588 ] [ 0.184037 0.769423 0.949192 ] [ 0.613752 0.281438 0.162993 ] [ 0.400223 0.892851 0.011765 ] [ 0.993873 0.157776 0.808233 ] [ 0.435464 0.83089 0.237301 ] [ 0.770705 0.511785 0.849399 ] [ 0.886248 0.781438 0.337007 ] [ 0.877055 0.092292 0.536649 ] [ 0.72183 0.580275 0.61 ] [ 0.293102 0.603294 0.528608 ] [ 0.643981 0.493797 0.254415 ] [ 0.262082 0.777911 0.390177 ] [ 0.03184 0.382999 0.988295 ] [ 0.099777 0.392851 0.488235 ] [ 0.83416 0.339742 0.338588 ] [ 0.793102 0.896706 0.028608 ] [ 0.564536 0.16911 0.762699 ] [ 0.77817 0.080275 0.89 ] [ 0.356019 0.506203 0.745585 ] [ 0.680294 0.197161 0.37785 ] [ 0.586034 0.32713 0.923269 ] [ 0.96816 0.617001 0.011705 ] [ 0.006127 0.842224 0.191767 ] [ 0.319706 0.802839 0.62215 ] [ 0.493873 0.342224 0.308233 ] [ 0.143981 0.006203 0.754415 ] [ 0.815963 0.230577 0.050808 ] [ 0.53184 0.117001 0.488295 ] [ 0.229295 0.488215 0.150601 ] [ 0.270705 0.988215 0.349399 ] [ 0.16584 0.660258 0.661412 ] [ 0.413966 0.67287 0.076731 ] [ 0.122945 0.907708 0.463351 ] [ 0.856019 0.993797 0.245585 ] [ 0.206898 0.103294 0.971392 ] [ 0.167394 0.520582 0.90872 ] [ 0.113752 0.218562 0.662993 ] [ 0.684037 0.730577 0.449192 ] [ 0.237918 0.277911 0.109823 ] [ 0.506127 0.657776 0.691767 ] [ 0.900223 0.607149 0.511765 ] [ 0.66584 0.839742 0.161412 ] [ 0.913966 0.82713 0.576731 ] [ 0.22183 0.919725 0.11 ] [ 0.46816 0.882999 0.511705 ] [ 0.768055 0.289522 0.832789 ] [ 0.064536 0.33089 0.262699 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.3304872886 "source-unit" "angstrom" } "b" { "source-value" 12.64894849 "source-unit" "angstrom" } "c" { "source-value" 12.3308111757 "source-unit" "angstrom" } "beta" { "source-value" 111.111582833 "source-unit" "degree" } }