{ "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 7.72089 7.203562 6.882943 6.649995 6.466927 6.3161 6.18784 6.076264 5.977528 5.888979 5.80871 5.735304 5.667679 5.604992 5.546569 5.491867 5.440441 5.391921 5.345995 5.302399 5.26091 5.221333 5.183498 5.14726 5.110625 5.072872 5.033931 4.993726 4.95217 4.90917 4.864622 4.818411 4.770408 4.720467 4.668425 4.6141 4.557279 4.497724 4.435158 4.36926 4.299654 4.2259 4.14747 4.063732 3.973915 3.877066 3.771989 3.657158 3.530572 3.389548 3.230364 3.047642 2.833192 2.57363 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.72089e-10 7.203562e-10 6.882943e-10 6.649995e-10 6.466927e-10 6.3161e-10 6.187839999999999e-10 6.076264e-10 5.977528000000001e-10 5.888979000000001e-10 5.80871e-10 5.735304e-10 5.667679e-10 5.604992e-10 5.546569e-10 5.491867e-10 5.440441e-10 5.391921e-10 5.345995e-10 5.302399000000001e-10 5.26091e-10 5.221333e-10 5.183498e-10 5.14726e-10 5.110625e-10 5.072872e-10 5.033931e-10 4.993726e-10 4.952169999999999e-10 4.90917e-10 4.864622e-10 4.818411e-10 4.770408e-10 4.720467e-10 4.668425e-10 4.6140999999999996e-10 4.5572790000000004e-10 4.497724e-10 4.4351580000000004e-10 4.36926e-10 4.2996540000000005e-10 4.2259000000000004e-10 4.14747e-10 4.063732e-10 3.973915e-10 3.8770660000000005e-10 3.771989e-10 3.657158e-10 3.530572e-10 3.3895480000000003e-10 3.230364e-10 3.0476420000000004e-10 2.833192e-10 2.57363e-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" [ 1.33037 1.61066 1.78024 1.89686 1.98616 2.05991 2.12338 2.17904 2.25011 2.30148 2.34435 2.38196 2.41486 2.44349 2.46825 2.48947 2.50744 2.52242 2.53462 2.54426 2.5515 2.5565 2.55941 2.56036 2.55935 2.55611 2.55027 2.54138 2.52894 2.51235 2.49087 2.46365 2.42964 2.38758 2.33596 2.27288 2.19593 2.10187 1.98627 1.84292 1.66292 1.43321 1.13406 0.734855 0.186666 -0.591353 -1.73764 -3.49888 -6.33522 -11.1502 -19.8259 -36.5526 -71.3239 -148.948 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.1314877285745798e-19 2.5805618173184397e-19 2.8522589309121596e-19 3.0391047699692396e-19 3.1821791433854397e-19 3.3003396701429397e-19 3.40202982110292e-19 3.49120697255136e-19 3.6050736659297393e-19 3.68737747961832e-19 3.7560627919179e-19 3.8163206551226397e-19 3.8690322663812396e-19 3.91490258341266e-19 3.9545724768704996e-19 3.9885706650439794e-19 4.0173617791569596e-19 4.0413623851342795e-19 4.0609089400690794e-19 4.07635392282084e-19 4.0879536816509995e-19 4.095964564821e-19 4.10062689882594e-19 4.10214896662824e-19 4.1005307682278993e-19 4.0953397159337397e-19 4.0859830043911794e-19 4.07173965411492e-19 4.05180857678796e-19 4.0252284664298997e-19 3.99081371233158e-19 3.9472024643540994e-19 3.89271243703176e-19 3.8253248878057196e-19 3.74262052995864e-19 3.6415552278859194e-19 3.51826773589962e-19 3.3675670017055797e-19 3.18235538281518e-19 2.9526833623312795e-19 2.66429156821128e-19 2.29625557361514e-19 1.81696443355404e-19 1.17736751037807e-19 2.99071903562244e-20 -9.47451959045802e-20 -2.7840062063037598e-19 -5.60582378116992e-19 -1.0150141455249478e-18 -1.7864589904426798e-18 -3.1764593728020598e-18 -5.856372163194839e-18 -1.1427348602575258e-17 -2.38641005281032e-17 ] } }