{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 5.42254 5.05921 4.834033 4.67043 4.541858 4.435929 4.345849 4.267487 4.198143 4.135953 4.079579 4.028024 3.980531 3.936504 3.895472 3.857054 3.820937 3.78686 3.754605 3.723987 3.694849 3.667053 3.640481 3.61503 3.5893 3.562786 3.535437 3.507199 3.478014 3.447814 3.416527 3.384072 3.350358 3.315283 3.278733 3.240579 3.200673 3.158846 3.114904 3.068622 3.019737 2.967937 2.912855 2.854043 2.790962 2.722943 2.649146 2.568497 2.479592 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.42254e-10 5.059210000000001e-10 4.834033e-10 4.67043e-10 4.5418580000000007e-10 4.435929e-10 4.345849e-10 4.267487e-10 4.198143e-10 4.135953e-10 4.079579e-10 4.0280240000000004e-10 3.9805310000000004e-10 3.936504e-10 3.895472e-10 3.8570540000000004e-10 3.820937e-10 3.78686e-10 3.754605e-10 3.7239870000000003e-10 3.694849e-10 3.667053e-10 3.640481e-10 3.61503e-10 3.5893e-10 3.562786e-10 3.535437e-10 3.507199e-10 3.478014e-10 3.447814e-10 3.416527e-10 3.384072e-10 3.350358e-10 3.315283e-10 3.278733e-10 3.240579e-10 3.2006730000000003e-10 3.158846e-10 3.114904e-10 3.068622e-10 3.0197370000000003e-10 2.967937e-10 2.912855e-10 2.854043e-10 2.7909620000000003e-10 2.722943e-10 2.649146e-10 2.568497e-10 2.479592e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.899262 1.34422 1.6822 1.95617 2.18547 2.38118 2.55029 2.69752 2.82626 2.9393 3.03846 3.12548 3.20154 3.26787 3.32521 3.37452 3.41631 3.45116 3.47969 3.50224 3.51919 3.53095 3.53781 3.54005 3.53765 3.52996 3.51609 3.49489 3.46514 3.42531 3.37354 3.30768 3.22503 3.12239 2.99576 2.8403 2.64982 2.41687 2.13156 1.78178 1.35138 0.819548 0.158513 -0.66898 -1.71212 -3.04385 -4.76753 -7.0074 -9.99838 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.440776564244108e-19 2.1536778749554798e-19 2.6951815337147996e-19 3.13412986613178e-19 3.50150896830798e-19 3.81507095734812e-19 4.0860150479238597e-19 4.3219035137476796e-19 4.52816773360884e-19 4.7092777803162e-19 4.86814961534364e-19 5.007571026034319e-19 5.12943258081636e-19 5.235704956949579e-19 5.32757376514314e-19 5.40657709496568e-19 5.47353205650054e-19 5.52936791219544e-19 5.57507801156346e-19 5.61120709466016e-19 5.638363988606459e-19 5.6572055858223e-19 5.668196517531539e-19 5.6717853931917e-19 5.6679401692701e-19 5.65561943095464e-19 5.63339724104106e-19 5.599431096400259e-19 5.55176634153876e-19 5.487951646206539e-19 5.40500696186436e-19 5.29948760874912e-19 5.16706770994902e-19 5.00262030023526e-19 4.79973667307184e-19 4.5506622935502e-19 4.24547968830588e-19 3.8722526414155796e-19 3.41513562596904e-19 2.8547262829285195e-19 2.1651494596549199e-19 1.313060656041432e-19 2.5396582478524196e-20 -1.07182412461332e-19 -2.74311865860408e-19 -4.8767853474009e-19 -7.638425167894019e-19 -1.1227092545091599e-18 -1.6019170813852917e-18 ] } }