{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.993453 0.98445 0.994863 ] [ 0.990633 0.989205 0.80421 ] [ 0.001704 0.999073 0.601084 ] [ 0.994623 0.983612 0.395368 ] [ 0.960697 0.015755 0.204096 ] [ 0.530512 0.529243 0.899054 ] [ 0.49646 0.493066 0.501043 ] [ 0.49728 0.495051 0.700575 ] [ 0.543123 0.522891 0.307106 ] [ 0.497362 0.47995 0.093353 ] [ 0.813872 0.809048 0.89763 ] [ 0.80887 0.812828 0.298893 ] [ 0.704155 0.300047 0.998218 ] [ 0.697037 0.304875 0.794631 ] [ 0.69502 0.298046 0.603209 ] [ 0.706449 0.30055 0.405138 ] [ 0.679864 0.321831 0.199227 ] [ 0.30625 0.697228 0.00049 ] [ 0.3071 0.695306 0.794643 ] [ 0.301176 0.692108 0.603072 ] [ 0.308407 0.696402 0.402997 ] [ 0.807725 0.805667 0.698785 ] [ 0.810611 0.803461 0.502885 ] [ 0.801813 0.809518 0.101559 ] [ 0.291716 0.711846 0.197819 ] [ 0.196483 0.19126 0.897947 ] [ 0.192614 0.18569 0.501539 ] [ 0.189433 0.187629 0.70038 ] [ 0.185374 0.18953 0.102079 ] [ 0.190182 0.194835 0.298109 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 4.77428538 "source-unit" "angstrom" } "b" { "source-value" 4.77803732 "source-unit" "angstrom" } "c" { "source-value" 15.3007706 "source-unit" "angstrom" } "alpha" { "source-value" 89.91365781 "source-unit" "degree" } "beta" { "source-value" 89.89311995 "source-unit" "degree" } "gamma" { "source-value" 84.98999701 "source-unit" "degree" } }