{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "P2_13" } "basis-atom-coordinates" { "source-value" [ [ 0.684696 0.184696 0.315304 ] [ 0.315304 0.684696 0.184696 ] [ 0.949195 0.550805 0.449195 ] [ 0.184696 0.315304 0.684696 ] [ 0.050805 0.050805 0.050805 ] [ 0.449195 0.949195 0.550805 ] [ 0.550805 0.449195 0.949195 ] [ 0.815304 0.815304 0.815304 ] [ 0.335193 0.335193 0.335193 ] [ 0.164807 0.664807 0.835193 ] [ 0.835193 0.164807 0.664807 ] [ 0.664807 0.835193 0.164807 ] [ 0.593858 0.593858 0.593858 ] [ 0.093858 0.906142 0.406142 ] [ 0.406142 0.093858 0.906142 ] [ 0.906142 0.406142 0.093858 ] [ 0.280897 0.623394 0.518958 ] [ 0.780897 0.876606 0.481042 ] [ 0.719103 0.123394 0.981042 ] [ 0.876606 0.481042 0.780897 ] [ 0.981042 0.719103 0.123394 ] [ 0.481042 0.780897 0.876606 ] [ 0.623394 0.518958 0.280897 ] [ 0.518958 0.280897 0.623394 ] [ 0.123394 0.981042 0.719103 ] [ 0.219103 0.376606 0.018958 ] [ 0.018958 0.219103 0.376606 ] [ 0.376606 0.018958 0.219103 ] [ 0.252067 0.594471 0.659203 ] [ 0.752067 0.905529 0.340797 ] [ 0.747933 0.094471 0.840797 ] [ 0.905529 0.340797 0.752067 ] [ 0.840797 0.747933 0.094471 ] [ 0.340797 0.752067 0.905529 ] [ 0.594471 0.659203 0.252067 ] [ 0.659203 0.252067 0.594471 ] [ 0.094471 0.840797 0.747933 ] [ 0.405529 0.159203 0.247933 ] [ 0.159203 0.247933 0.405529 ] [ 0.247933 0.405529 0.159203 ] [ 0.259011 0.49983 0.442273 ] [ 0.759011 0.00017 0.557727 ] [ 0.740989 0.99983 0.057727 ] [ 0.00017 0.557727 0.759011 ] [ 0.057727 0.740989 0.99983 ] [ 0.557727 0.759011 0.00017 ] [ 0.99638 0.580399 0.171067 ] [ 0.442273 0.259011 0.49983 ] [ 0.99983 0.057727 0.740989 ] [ 0.50017 0.942273 0.240989 ] [ 0.942273 0.240989 0.50017 ] [ 0.240989 0.50017 0.942273 ] [ 0.419601 0.671067 0.50362 ] [ 0.919601 0.828933 0.49638 ] [ 0.580399 0.171067 0.99638 ] [ 0.828933 0.49638 0.919601 ] [ 0.309672 0.275758 0.963844 ] [ 0.963844 0.309672 0.275758 ] [ 0.275758 0.963844 0.309672 ] [ 0.224242 0.036156 0.809672 ] [ 0.463844 0.190328 0.724242 ] [ 0.724242 0.463844 0.190328 ] [ 0.536156 0.690328 0.775758 ] [ 0.036156 0.809672 0.224242 ] [ 0.775758 0.536156 0.690328 ] [ 0.809672 0.224242 0.036156 ] [ 0.690328 0.775758 0.536156 ] [ 0.190328 0.724242 0.463844 ] [ 0.080399 0.328933 0.00362 ] [ 0.00362 0.080399 0.328933 ] [ 0.328933 0.00362 0.080399 ] [ 0.171067 0.99638 0.580399 ] [ 0.50362 0.419601 0.671067 ] [ 0.671067 0.50362 0.419601 ] [ 0.49638 0.919601 0.828933 ] [ 0.49983 0.442273 0.259011 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "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" ] } "a" { "source-value" 10.14497025 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.067448863026316 "source-unit" "eV" } }