{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P3_121" } "basis-atom-coordinates" { "source-value" [ [ 0.041873 0.33606 0.000021 ] [ 0.431774 0.485497 0.302497 ] [ 0.121685 0.453767 0.833502 ] [ 0.33606 0.041873 0.999979 ] [ 0.705813 0.66394 0.666646 ] [ 0.546233 0.667917 0.166835 ] [ 0.236844 0.388918 0.69533 ] [ 0.294187 0.958127 0.666688 ] [ 0.332083 0.878315 0.500169 ] [ 0.630101 0.630101 0 ] [ 0.847927 0.611082 0.971336 ] [ 0.100247 0.818933 0.969838 ] [ 0 0.209374 0.166667 ] [ 0.453767 0.121685 0.166498 ] [ 0.369899 0 0.333333 ] [ 0.053723 0.568226 0.969164 ] [ 0.568226 0.053723 0.030836 ] [ 0.667917 0.546233 0.833165 ] [ 0.181067 0.281314 0.303171 ] [ 0.514503 0.946277 0.635831 ] [ 0.958127 0.294187 0.333312 ] [ 0.790626 0.790626 0.5 ] [ 0.878315 0.332083 0.499831 ] [ 0.899753 0.718686 0.363496 ] [ 0.152073 0.763156 0.361997 ] [ 0.66394 0.705813 0.333354 ] [ 0.718686 0.899753 0.636504 ] [ 0.388918 0.236844 0.30467 ] [ 0.209374 0 0.833333 ] [ 0.611082 0.847927 0.028664 ] [ 0.485497 0.431774 0.697503 ] [ 0.946277 0.514503 0.364169 ] [ 0.818933 0.100247 0.030162 ] [ 0.281314 0.181067 0.696829 ] [ 0.763156 0.152073 0.638003 ] [ 0 0.369899 0.666667 ] [ 0.369483 0.536211 0.919787 ] [ 0.794509 0.239482 0.852096 ] [ 0.444973 0.205491 0.518763 ] [ 0.228448 0.573976 0.255947 ] [ 0.682934 0.081639 0.24082 ] [ 0.678978 0.381853 0.592236 ] [ 0.961528 0.105289 0.486884 ] [ 0.536211 0.369483 0.080213 ] [ 0.06511 0 0.333333 ] [ 0.398705 0.317066 0.907486 ] [ 0 0.53179 0.166667 ] [ 0.321022 0.702875 0.741098 ] [ 0.46821 0.46821 0.5 ] [ 0.53179 0 0.833333 ] [ 0.426024 0.654471 0.58928 ] [ 0.573976 0.228448 0.744053 ] [ 0.771552 0.345529 0.077386 ] [ 0.345529 0.771552 0.922614 ] [ 0.317066 0.398705 0.092514 ] [ 0.169823 0.169823 0 ] [ 0.038472 0.143761 0.846449 ] [ 0.381853 0.678978 0.407764 ] [ 0.771107 0 0.833333 ] [ 0.630517 0.166729 0.413546 ] [ 0.93489 0.93489 0 ] [ 0.143761 0.038472 0.153551 ] [ 0.081639 0.682934 0.75918 ] [ 0.166729 0.630517 0.586454 ] [ 0.239482 0.794509 0.147904 ] [ 0.760518 0.555027 0.18543 ] [ 0.856239 0.894711 0.179783 ] [ 0 0.830177 0.666667 ] [ 0.918361 0.601295 0.574153 ] [ 0.702875 0.321022 0.258902 ] [ 0.833271 0.463789 0.746879 ] [ 0.654471 0.426024 0.41072 ] [ 0.463789 0.833271 0.253121 ] [ 0 0.771107 0.166667 ] [ 0.228893 0.228893 0.5 ] [ 0 0.06511 0.666667 ] [ 0.105289 0.961528 0.513116 ] [ 0.601295 0.918361 0.425847 ] [ 0.830177 0 0.333333 ] [ 0.618147 0.297125 0.925569 ] [ 0.297125 0.618147 0.074431 ] [ 0.205491 0.444973 0.481237 ] [ 0.894711 0.856239 0.820217 ] [ 0.555027 0.760518 0.81457 ] [ 0.911661 0.060149 0.105993 ] [ 0.945561 0.181488 0.947941 ] [ 0.148488 0.088339 0.772659 ] [ 0.060149 0.911661 0.894007 ] [ 0.939851 0.851512 0.439326 ] [ 0.259171 0.91076 0.911548 ] [ 0.605379 0.18009 0.110065 ] [ 0.999914 0.666462 0.428975 ] [ 0.235927 0.054439 0.614608 ] [ 0.088339 0.148488 0.227341 ] [ 0.105959 0.493014 0.051111 ] [ 0.12025 0.281088 0.078041 ] [ 0.08924 0.348412 0.244882 ] [ 0.954946 0.452685 0.58642 ] [ 0.000086 0.666548 0.904358 ] [ 0.42529 0.81991 0.556602 ] [ 0.651588 0.740829 0.578215 ] [ 0.764073 0.818512 0.718725 ] [ 0.807604 0.047434 0.698682 ] [ 0.272056 0.518116 0.774263 ] [ 0.592366 0.576167 0.246688 ] [ 0.493014 0.105959 0.948889 ] [ 0.348412 0.08924 0.755118 ] [ 0.192396 0.23983 0.634651 ] [ 0.818512 0.764073 0.281275 ] [ 0.170252 0.38318 0.920526 ] [ 0.280429 0.430846 0.359291 ] [ 0.717869 0.560631 0.051175 ] [ 0.57471 0.394621 0.776732 ] [ 0.75394 0.481884 0.892403 ] [ 0.481884 0.75394 0.107597 ] [ 0.054439 0.235927 0.385392 ] [ 0.68382 0.761009 0.086771 ] [ 0.476911 0.385462 0.365465 ] [ 0.718912 0.839162 0.411374 ] [ 0.452685 0.954946 0.41358 ] [ 0.829748 0.212929 0.412808 ] [ 0.922811 0.238991 0.579896 ] [ 0.333538 0.333452 0.762308 ] [ 0.506986 0.612945 0.384444 ] [ 0.333452 0.333538 0.237692 ] [ 0.787071 0.61682 0.746141 ] [ 0.077189 0.31618 0.753438 ] [ 0.31618 0.077189 0.246562 ] [ 0.387055 0.894041 0.717777 ] [ 0.518116 0.272056 0.225737 ] [ 0.423833 0.0162 0.580021 ] [ 0.047434 0.807604 0.301318 ] [ 0.727944 0.24606 0.55907 ] [ 0.87975 0.160838 0.255293 ] [ 0.181488 0.945561 0.052059 ] [ 0.38318 0.170252 0.079474 ] [ 0.719571 0.150417 0.974042 ] [ 0.430846 0.280429 0.640709 ] [ 0.614538 0.09145 0.698798 ] [ 0.157238 0.439369 0.615492 ] [ 0.908551 0.523089 0.032132 ] [ 0.281088 0.12025 0.921959 ] [ 0.61682 0.787071 0.253859 ] [ 0.849583 0.569154 0.307375 ] [ 0.91076 0.259171 0.088452 ] [ 0.81991 0.42529 0.443398 ] [ 0.547315 0.50226 0.919753 ] [ 0.407634 0.9838 0.086645 ] [ 0.523089 0.908551 0.967868 ] [ 0.9838 0.407634 0.913355 ] [ 0.842762 0.282131 0.717841 ] [ 0.24606 0.727944 0.44093 ] [ 0.851512 0.939851 0.560674 ] [ 0.49774 0.045054 0.253086 ] [ 0.569154 0.849583 0.692625 ] [ 0.839162 0.718912 0.588626 ] [ 0.23983 0.192396 0.365349 ] [ 0.666462 0.999914 0.571025 ] [ 0.612945 0.506986 0.615556 ] [ 0.18009 0.605379 0.889935 ] [ 0.385462 0.476911 0.634535 ] [ 0.761009 0.68382 0.913229 ] [ 0.045054 0.49774 0.746914 ] [ 0.76017 0.952566 0.967985 ] [ 0.09145 0.614538 0.301202 ] [ 0.212929 0.829748 0.587192 ] [ 0.50226 0.547315 0.080247 ] [ 0.740829 0.651588 0.421785 ] [ 0.150417 0.719571 0.025958 ] [ 0.576167 0.592366 0.753312 ] [ 0.560631 0.717869 0.948825 ] [ 0.160838 0.87975 0.744707 ] [ 0.394621 0.57471 0.223268 ] [ 0.666548 0.000086 0.095642 ] [ 0.282131 0.842762 0.282159 ] [ 0.238991 0.922811 0.420104 ] [ 0.439369 0.157238 0.384508 ] [ 0.894041 0.387055 0.282223 ] [ 0.952566 0.76017 0.032015 ] [ 0.0162 0.423833 0.419979 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "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" "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" 12.82725972 "source-unit" "angstrom" } "c" { "source-value" 15.73718356 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.755566189111111 "source-unit" "eV" } }