{ "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" [ "At" "At" "At" "At" "At" "At" "At" "At" ] } "a" { "source-value" [ 10.0069 9.336397 8.920847 8.618927 8.381655 8.186169 8.019932 7.875321 7.74735 7.632582 7.528547 7.433406 7.345759 7.26451 7.188789 7.117891 7.051239 6.988352 6.928827 6.872324 6.818551 6.767254 6.718218 6.67125 6.639276 6.605624 6.570109 6.532513 6.492576 6.449987 6.404369 6.355258 6.302074 6.24408 6.180319 6.109515 6.029918 5.93903 5.833108 5.706176 5.547781 5.337 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.00069e-09 9.336397e-10 8.920847e-10 8.618926999999999e-10 8.381655e-10 8.186169e-10 8.019932000000001e-10 7.875321e-10 7.74735e-10 7.632582000000001e-10 7.528547e-10 7.433406e-10 7.345759e-10 7.26451e-10 7.188789e-10 7.117891e-10 7.051239e-10 6.988352000000001e-10 6.928827e-10 6.872324000000001e-10 6.818551000000001e-10 6.767254000000001e-10 6.718218e-10 6.67125e-10 6.639276e-10 6.605624e-10 6.570109000000001e-10 6.532513e-10 6.492575999999999e-10 6.449987e-10 6.404369000000001e-10 6.355258e-10 6.302074e-10 6.24408e-10 6.180319e-10 6.109515e-10 6.029918000000001e-10 5.93903e-10 5.833108000000001e-10 5.706176e-10 5.547780999999999e-10 5.337e-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" [ 0.693157 1.039 1.34296 1.62155 1.88195 2.12588 2.356 2.57231 2.7755 2.96597 3.14415 3.31038 3.46422 3.60559 3.73493 3.85202 3.95619 4.04722 4.12488 4.18893 4.23908 4.27506 4.29722 4.30471 4.30094 4.28826 4.26413 4.22518 4.16713 4.08372 3.96638 3.80312 3.57659 3.261 2.8168 2.18121 1.24835 -0.168737 -2.4305 -6.30627 -13.693 -30.5153 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.1105599399438658e-19 1.6646615090111999e-19 2.151659114669568e-19 2.59800949945824e-19 3.0152162915145604e-19 3.4060352346263044e-19 3.7747281186048e-19 4.121294943450048e-19 4.4468412110304e-19 4.752007791994176e-19 5.03748362228832e-19 5.303813441963904e-19 5.550292293307776e-19 5.776792002190272e-19 5.984017526324544e-19 6.171616386854017e-19 6.338515125442752e-19 6.484361263234177e-19 6.608786299605505e-19 6.711405712167744e-19 6.791754869700865e-19 6.849401184517248e-19 6.884905418434177e-19 6.896905721323968e-19 6.890865515463552e-19 6.870549915911809e-19 6.831889394051904e-19 6.769484614671744e-19 6.676478261834304e-19 6.542840709893375e-19 6.354841305208704e-19 6.093269950096896e-19 5.730328880187072e-19 5.2246979604288e-19 4.51301110546944e-19 3.4946836670551684e-19 2.0000771845756803e-19 -2.703464764639296e-20 -3.8940902768544e-19 -1.0103758358452417e-18 -2.19386044686144e-18 -4.8890900236698245e-18 ] } }