{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "sc" ] } "species" { "source-value" [ "Fe" ] } "a" { "source-value" [ 3.57857 3.338792 3.190187 3.082218 2.997367 2.927459 2.868012 2.816297 2.770534 2.729492 2.692287 2.658264 2.626921 2.597866 2.570787 2.545433 2.521598 2.499109 2.477822 2.457616 2.438386 2.420042 2.402506 2.38571 2.36873 2.351232 2.333183 2.314548 2.295287 2.275357 2.254709 2.233291 2.211041 2.187894 2.163773 2.138594 2.112258 2.084655 2.055656 2.025112 1.992851 1.958666 1.922314 1.883502 1.841872 1.796984 1.748281 1.695058 1.636386 1.571023 1.497242 1.412551 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.57857e-10 3.3387920000000004e-10 3.190187e-10 3.082218e-10 2.997367e-10 2.927459e-10 2.868012e-10 2.816297e-10 2.7705340000000004e-10 2.7294920000000003e-10 2.692287e-10 2.658264e-10 2.626921e-10 2.597866e-10 2.570787e-10 2.545433e-10 2.521598e-10 2.499109e-10 2.477822e-10 2.457616e-10 2.4383860000000003e-10 2.420042e-10 2.402506e-10 2.38571e-10 2.36873e-10 2.351232e-10 2.333183e-10 2.314548e-10 2.295287e-10 2.2753570000000002e-10 2.2547090000000003e-10 2.233291e-10 2.2110409999999998e-10 2.1878940000000002e-10 2.163773e-10 2.138594e-10 2.1122580000000003e-10 2.0846550000000002e-10 2.055656e-10 2.025112e-10 1.992851e-10 1.9586660000000002e-10 1.9223140000000002e-10 1.8835020000000001e-10 1.841872e-10 1.796984e-10 1.748281e-10 1.695058e-10 1.6363859999999998e-10 1.5710230000000001e-10 1.497242e-10 1.412551e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.01338 1.38932 1.67506 1.90781 2.10392 2.27253 2.41917 2.54773 2.66091 2.76091 2.84924 2.92721 2.99593 3.05616 3.10859 3.15383 3.19241 3.22478 3.25135 3.27245 3.2884 3.29946 3.306 3.30813 3.30584 3.29839 3.28493 3.26427 3.23505 3.1957 3.14422 3.07821 2.9948 2.89032 2.76036 2.5993 2.40004 2.15354 1.84812 1.46863 0.995133 0.400872 -0.350324 -1.30904 -2.54683 -4.16675 -6.32372 -9.25555 -13.3441 -19.2331 -28.0744 -42.0977 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.6236137573629198e-19 2.22593604114888e-19 2.6837419925480396e-19 3.05664860411154e-19 3.37085146380528e-19 3.64099446606402e-19 3.8759376476737795e-19 4.0819134757408197e-19 4.2632478271769395e-19 4.42346549057694e-19 4.56498575265816e-19 4.68990746481114e-19 4.80000904309962e-19 4.89650814176544e-19 4.980510262686059e-19 5.05299273360822e-19 5.11480470814794e-19 5.166667165790519e-19 5.209236998955899e-19 5.2430429259333e-19 5.2685976432456e-19 5.286317716817639e-19 5.296795952004e-19 5.300208588234419e-19 5.296539603742559e-19 5.28460338781926e-19 5.26303809032562e-19 5.229937121067179e-19 5.1831215198217e-19 5.120075869273799e-19 5.037595816155479e-19 4.93183613654514e-19 4.7981985835032e-19 4.630803168782879e-19 4.42258429342824e-19 4.1645377247562e-19 3.84528800866536e-19 3.4503514683843596e-19 2.96101468082808e-19 2.35300466999142e-19 1.594378840322322e-19 6.42267751624848e-20 -5.61280927129416e-20 -2.0973133009713599e-19 -4.0804715167702197e-19 -6.6758694897195e-19 -1.013171642395848e-18 -1.4829025944818698e-18 -2.13796052217594e-18 -3.08148234193854e-18 -4.49801476935696e-18 -6.7447951285141804e-18 ] } }