{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" ] } "a" { "source-value" [ 9.06133 8.454188 8.077906 7.804517 7.589666 7.412653 7.262125 7.131179 7.015301 6.911379 6.817174 6.731025 6.65166 6.578089 6.509523 6.445325 6.384971 6.328027 6.274127 6.222963 6.174271 6.127822 6.08342 6.04089 6.011937 5.981465 5.949306 5.915262 5.879098 5.840534 5.799226 5.754755 5.706597 5.654082 5.596346 5.532232 5.460156 5.377856 5.281942 5.167003 5.023575 4.83271 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.06133e-10 8.454188000000001e-10 8.077906e-10 7.804517e-10 7.589666000000001e-10 7.412653e-10 7.262125000000001e-10 7.131179000000001e-10 7.015301e-10 6.911379e-10 6.817174e-10 6.731025000000001e-10 6.65166e-10 6.578089000000001e-10 6.509523e-10 6.445325e-10 6.384971e-10 6.328027e-10 6.274127e-10 6.222963000000001e-10 6.174271e-10 6.127822e-10 6.08342e-10 6.04089e-10 6.011937e-10 5.981465000000001e-10 5.949306e-10 5.915262000000001e-10 5.879098e-10 5.840534e-10 5.799226e-10 5.754755000000001e-10 5.706597000000001e-10 5.654082e-10 5.596346e-10 5.532232e-10 5.460156e-10 5.377856000000001e-10 5.281942e-10 5.167003000000001e-10 5.023575e-10 4.832709999999999e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 1.23235 1.62189 1.88621 2.0846 2.24144 2.36947 2.47625 2.56668 2.64414 2.71107 2.76926 2.82011 2.86473 3.86559 3.87038 3.89313 3.91195 3.92729 3.93954 3.94903 3.95604 3.9608 3.96352 3.9644 3.96398 3.96264 3.96019 3.9564 3.951 3.94361 3.93378 3.92091 3.90417 3.88247 3.85427 3.81735 3.76842 3.70231 3.6105 3.47777 3.27387 2.92794 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.9744423749098999e-19 2.59855426091826e-19 3.02204158881714e-19 3.3398974112364e-19 3.5911827945129594e-19 3.79630946896398e-19 3.9673898899424994e-19 4.1122747229551194e-19 4.23637932502476e-19 4.34361300713838e-19 4.43684366547084e-19 4.51831434730974e-19 4.58980346871882e-19 6.19335797462406e-19 6.20103240070092e-19 6.23748191912442e-19 6.267634883376299e-19 6.29221227294186e-19 6.31183893670836e-19 6.32704359296502e-19 6.338274851169359e-19 6.3459012119472e-19 6.350259132391679e-19 6.3516690478296e-19 6.35099613364332e-19 6.348849216953759e-19 6.344923884200459e-19 6.338851634757599e-19 6.330199880933999e-19 6.31835979560874e-19 6.30261039929652e-19 6.28199038601694e-19 6.25516994916378e-19 6.220402716205979e-19 6.17522133512718e-19 6.116068973799899e-19 6.03767447109828e-19 5.93175457382454e-19 5.784658737057e-19 5.57200183242618e-19 5.24531801675358e-19 4.69107705375396e-19 ] } }