{ "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" [ [ 0.344085 0.175025 0.210157 ] [ 0.174221 0.342788 0.712015 ] [ 0.168733 0.835121 0.704404 ] [ 0.839384 0.172842 0.207011 ] [ 0.837687 0.665669 0.209277 ] [ 0.664701 0.83673 0.710655 ] [ 0.665344 0.33467 0.487144 ] [ 0.335837 0.668126 0.987045 ] [ 0.824919 0.17398 0.600547 ] [ 0.950357 0.475067 0.353407 ] [ 0.654623 0.326554 0.107036 ] [ 0.01654 0.009838 0.298565 ] [ 0.014794 0.011396 0.796844 ] [ 0.817936 0.651346 0.598801 ] [ 0.509525 0.044056 0.342949 ] [ 0.508618 0.467224 0.341724 ] [ 0.653695 0.823573 0.097563 ] [ 0.352262 0.187763 0.598662 ] [ 0.468147 0.509887 0.843122 ] [ 0.477173 0.950967 0.851629 ] [ 0.318842 0.655679 0.610006 ] [ 0.182189 0.351448 0.100262 ] [ 0.043293 0.501985 0.846954 ] [ 0.177095 0.828067 0.099937 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Fe" "Fe" "Fe" "Te" "Te" "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" 5.99022358 "source-unit" "angstrom" } "b" { "source-value" 6.00995194 "source-unit" "angstrom" } "c" { "source-value" 9.25185419 "source-unit" "angstrom" } "alpha" { "source-value" 90.89987836 "source-unit" "degree" } "beta" { "source-value" 90.76260787 "source-unit" "degree" } "gamma" { "source-value" 119.614187 "source-unit" "degree" } }