{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3" } "basis-atom-coordinates" { "source-value" [ [ 0.326036 0.148321 0.452249 ] [ 0.666667 0.333333 0.074878 ] [ 0.851679 0.177715 0.452249 ] [ 0.822285 0.673964 0.452249 ] [ 0.177715 0.326036 0.952249 ] [ 0.148321 0.822285 0.952249 ] [ 0.333333 0.666667 0.574878 ] [ 0.673964 0.851679 0.952249 ] [ 0.327123 0.146374 0.071785 ] [ 0.666667 0.333333 0.467013 ] [ 0.853626 0.180749 0.071785 ] [ 0.819251 0.672877 0.071785 ] [ 0.180749 0.327123 0.571785 ] [ 0.146374 0.819251 0.571785 ] [ 0.333333 0.666667 0.967013 ] [ 0.672877 0.853626 0.571785 ] [ 0.101043 0.031928 0.793461 ] [ 0.419587 0.006973 0.693636 ] [ 0.454969 0.028467 0.271 ] [ 0.506442 0.093259 0.855311 ] [ 0.595251 0.125471 0.683839 ] [ 0.53022 0.404749 0.683839 ] [ 0 0 0.133693 ] [ 0 0 0.633693 ] [ 0.968072 0.069115 0.793461 ] [ 0.586817 0.493558 0.855311 ] [ 0.573498 0.545031 0.271 ] [ 0.069115 0.101043 0.293461 ] [ 0.587387 0.580413 0.693636 ] [ 0.906741 0.413183 0.855311 ] [ 0.874529 0.46978 0.683839 ] [ 0.993027 0.412613 0.693636 ] [ 0.971533 0.426502 0.271 ] [ 0.028467 0.573498 0.771 ] [ 0.006973 0.587387 0.193636 ] [ 0.125471 0.53022 0.183839 ] [ 0.093259 0.586817 0.355311 ] [ 0.412613 0.419587 0.193636 ] [ 0.930885 0.898957 0.793461 ] [ 0.426502 0.454969 0.771 ] [ 0.413183 0.506442 0.355311 ] [ 0.031928 0.930885 0.293461 ] [ 0.46978 0.595251 0.183839 ] [ 0.404749 0.874529 0.183839 ] [ 0.493558 0.906741 0.355311 ] [ 0.545031 0.971533 0.771 ] [ 0.580413 0.993027 0.193636 ] [ 0.898957 0.968072 0.293461 ] [ 0.515847 0.048062 0.753756 ] [ 0 0 0.251093 ] [ 0 0 0.751093 ] [ 0.532216 0.484153 0.753756 ] [ 0.951938 0.467784 0.753756 ] [ 0.048062 0.532216 0.253756 ] [ 0.467784 0.515847 0.253756 ] [ 0.484153 0.951938 0.253756 ] [ 0.208103 0.025698 0.973304 ] [ 0.319593 0.091972 0.237348 ] [ 0.302566 0.276321 0.072657 ] [ 0.475806 0.189351 0.001608 ] [ 0.723679 0.026245 0.072657 ] [ 0.515245 0.287864 0.531489 ] [ 0.712136 0.227381 0.531489 ] [ 0.666667 0.333333 0.293673 ] [ 0.810649 0.286455 0.001608 ] [ 0.908028 0.227621 0.237348 ] [ 0.974302 0.182405 0.973304 ] [ 0.713545 0.524194 0.001608 ] [ 0.772619 0.484755 0.531489 ] [ 0.026245 0.302566 0.572657 ] [ 0.182405 0.208103 0.473304 ] [ 0.772379 0.680407 0.237348 ] [ 0.227621 0.319593 0.737348 ] [ 0.817595 0.791897 0.973304 ] [ 0.973755 0.697434 0.072657 ] [ 0.227381 0.515245 0.031489 ] [ 0.286455 0.475806 0.501608 ] [ 0.025698 0.817595 0.473304 ] [ 0.091972 0.772379 0.737348 ] [ 0.189351 0.713545 0.501608 ] [ 0.333333 0.666667 0.793673 ] [ 0.287864 0.772619 0.031489 ] [ 0.484755 0.712136 0.031489 ] [ 0.276321 0.973755 0.572657 ] [ 0.524194 0.810649 0.501608 ] [ 0.697434 0.723679 0.572657 ] [ 0.680407 0.908028 0.737348 ] [ 0.791897 0.974302 0.473304 ] ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "P" "P" "P" "P" "P" "P" "P" "P" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "N" "N" "N" "N" "N" "N" "N" "N" "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" 10.80868496 "source-unit" "angstrom" } "c" { "source-value" 8.76916672 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.735352847159091 "source-unit" "eV" } }