{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0.517481 0.815609 0.665464 ] [ 0.482519 0.184391 0.334536 ] [ 0.977226 0.346971 0.67836 ] [ 0.022774 0.653029 0.32164 ] [ 0 0 0 ] [ 0.682857 0.535746 0.784197 ] [ 0.317143 0.464254 0.215803 ] [ 0.80523 0.369359 0.436629 ] [ 0.802303 0.034869 0.76541 ] [ 0.797278 0.70095 0.100306 ] [ 0.697042 0.204606 0.096674 ] [ 0.701322 0.874255 0.423739 ] [ 0.298678 0.125745 0.576261 ] [ 0.302958 0.795394 0.903326 ] [ 0.19477 0.630641 0.563371 ] [ 0.197697 0.965131 0.23459 ] [ 0.202722 0.29905 0.899694 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "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" 4.89029171 "source-unit" "angstrom" } "b" { "source-value" 5.89709009 "source-unit" "angstrom" } "c" { "source-value" 8.10158727 "source-unit" "angstrom" } "alpha" { "source-value" 86.74073175 "source-unit" "degree" } "beta" { "source-value" 88.38543184 "source-unit" "degree" } "gamma" { "source-value" 88.71233489 "source-unit" "degree" } }