{ "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" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" ] } "a" { "source-value" [ 11.0254 10.286654 9.828809 9.49616 9.234738 9.019356 8.8362 8.67687 8.535875 8.409426 8.294802 8.189978 8.09341 8.003892 7.920464 7.84235 7.768914 7.699626 7.634043 7.57179 7.512543 7.456026 7.401998 7.35025 7.297935 7.244024 7.188417 7.131004 7.071662 7.010259 6.946645 6.880656 6.812107 6.740791 6.666477 6.5889 6.507761 6.422716 6.333372 6.23927 6.139874 6.034553 5.922556 5.802978 5.674719 5.536419 5.386371 5.222392 5.041628 4.840247 4.612933 4.352007 4.045773 3.67512 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.10254e-09 1.0286654000000001e-09 9.828809e-10 9.49616e-10 9.234738000000001e-10 9.019356e-10 8.8362e-10 8.676869999999999e-10 8.535875000000001e-10 8.409426e-10 8.294802000000001e-10 8.189978e-10 8.09341e-10 8.003892000000001e-10 7.920464000000001e-10 7.84235e-10 7.768914e-10 7.699626000000001e-10 7.634043e-10 7.571790000000001e-10 7.512543e-10 7.456026e-10 7.401998e-10 7.350250000000001e-10 7.297935e-10 7.244023999999999e-10 7.188417000000001e-10 7.131004e-10 7.071662e-10 7.010258999999999e-10 6.946645e-10 6.880656e-10 6.812107000000001e-10 6.740791e-10 6.666477000000001e-10 6.5889e-10 6.507761000000001e-10 6.422716000000001e-10 6.333372e-10 6.23927e-10 6.139874e-10 6.034553000000001e-10 5.922556e-10 5.802978000000001e-10 5.674719e-10 5.536419e-10 5.386371e-10 5.222392e-10 5.041628e-10 4.840247e-10 4.6129330000000003e-10 4.352007000000001e-10 4.045773e-10 3.67512e-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" [ 0.148325 0.380398 0.619096 0.844358 1.05152 1.24051 1.4127 1.56979 1.71346 1.8452 1.96621 2.07742 2.17949 2.27279 2.35745 2.43341 2.50051 2.5585 2.6072 2.64649 2.67642 2.69722 2.70927 2.71315 2.70911 2.69645 2.6744 2.64233 2.59971 2.5611 2.49015 2.40876 2.31736 2.21597 2.10404 1.98029 1.84261 1.68796 1.51224 1.31017 1.07495 0.797771 0.487926 0.0991477 -0.37525 -0.964113 -1.7104 -2.68066 -3.9828 -5.78701 -8.43718 -12.5312 -19.4336 -32.4186 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.3764284923805e-20 6.09464787220332e-20 9.919011454028639e-20 1.352810658330972e-19 1.6847207741836799e-19 1.98751613624334e-19 2.2633949308518e-19 2.51508085828686e-19 2.74526557529364e-19 2.9563363250567996e-19 3.15021571953714e-19 3.3283937830042797e-19 3.4919279520366597e-19 3.64141103198886e-19 3.7770513058232997e-19 3.8987526429419397e-19 4.006258695083339e-19 4.099168918089e-19 4.1771949201648e-19 4.2401444401146596e-19 4.2880975867702795e-19 4.32142286075748e-19 4.34072908919718e-19 4.3469455345371e-19 4.34047274093574e-19 4.3201891847493e-19 4.2848611899695995e-19 4.2334793853172196e-19 4.16519461717614e-19 4.1033345773374e-19 3.9896601451550995e-19 3.8592589889138397e-19 3.7128200445662397e-19 3.55037535564498e-19 3.3710437250013595e-19 3.17277436654386e-19 2.95218668757474e-19 2.7044100711266395e-19 2.42287559300016e-19 2.09912376056778e-19 1.7222597727183e-19 1.278170055482814e-19 7.817436363210839e-20 1.588521282548418e-20 -6.012167819084999e-20 -1.544679321135642e-19 -2.7403629147935995e-19 -4.29489081569844e-19 -6.3811490978952e-19 -9.27181220272434e-19 -1.3517852652852118e-18 -2.0077195835980798e-18 -3.1136059834502397e-18 -5.1940323426992394e-18 ] } }