{ "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" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 5.39059 5.029401 4.805551 4.642912 4.515097 4.409792 4.320243 4.242343 4.173407 4.111584 4.055542 4.004291 3.957077 3.91331 3.87252 3.834328 3.798424 3.764548 3.732483 3.702045 3.673078 3.645446 3.619031 3.59373 3.568152 3.541793 3.514606 3.486535 3.457521 3.427499 3.396397 3.364133 3.330617 3.295749 3.259415 3.221485 3.181814 3.140234 3.096551 3.050542 3.001944 2.95045 2.895692 2.837227 2.774518 2.706899 2.633537 2.553363 2.464983 2.366522 2.255382 2.127808 1.978082 1.79686 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.390590000000001e-10 5.029401000000001e-10 4.805551e-10 4.6429120000000003e-10 4.5150970000000003e-10 4.4097920000000007e-10 4.320243e-10 4.242343e-10 4.1734070000000005e-10 4.1115839999999996e-10 4.055542e-10 4.0042910000000006e-10 3.957077e-10 3.9133100000000004e-10 3.8725200000000005e-10 3.8343280000000005e-10 3.798424e-10 3.764548e-10 3.7324830000000006e-10 3.702045e-10 3.673078e-10 3.6454460000000003e-10 3.619031e-10 3.59373e-10 3.5681520000000004e-10 3.5417930000000005e-10 3.5146060000000003e-10 3.486535e-10 3.457521e-10 3.427499e-10 3.396397e-10 3.364133e-10 3.330617e-10 3.295749e-10 3.2594150000000003e-10 3.221485e-10 3.181814e-10 3.140234e-10 3.096551e-10 3.0505420000000004e-10 3.001944e-10 2.95045e-10 2.895692e-10 2.837227e-10 2.774518e-10 2.706899e-10 2.633537e-10 2.5533630000000003e-10 2.464983e-10 2.366522e-10 2.255382e-10 2.127808e-10 1.978082e-10 1.79686e-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" [ 1.23176 1.74542 2.13211 2.44807 2.71259 2.93829 3.13323 3.3029 3.4513 3.58143 3.69563 3.79575 3.88332 3.95957 4.02557 4.0822 4.13023 4.17031 4.20304 4.22892 4.24841 4.2619 4.26976 4.27231 4.26958 4.26077 4.24483 4.22055 4.18622 4.13912 4.07568 3.99127 3.87982 3.73342 3.54158 3.29033 2.96092 2.52788 1.95629 1.19762 0.18362 -1.18051 -3.02766 -5.55099 -9.03733 -13.9245 -20.9046 -31.1096 -46.4681 -70.3541 -108.777 -172.346 -278.02 -441.673 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.97349709069584e-19 2.7964711405162796e-19 3.41601682311774e-19 3.92224055239638e-19 4.34604831562206e-19 4.707659581915859e-19 5.01998789494782e-19 5.2918292044386e-19 5.5295922169242e-19 5.73808346230662e-19 5.921052033909419e-19 6.081461958505499e-19 6.221764566344879e-19 6.3439305346873795e-19 6.44967419253138e-19 6.5404054553148e-19 6.617357999045819e-19 6.681573238536539e-19 6.734012479767359e-19 6.775476811055279e-19 6.806703233651939e-19 6.828316596444599e-19 6.840909704787839e-19 6.844995255204539e-19 6.84062131299372e-19 6.82650613684818e-19 6.80096744130222e-19 6.7620665926287e-19 6.707063868783479e-19 6.63160134932208e-19 6.52995926366112e-19 6.39471953398518e-19 6.216156948125879e-19 5.9815982889082795e-19 5.67423672344172e-19 5.27168984414922e-19 4.74391683914328e-19 4.05011026955592e-19 3.13432212732786e-19 1.9187987804110797e-19 2.9419167353508e-20 -1.8913855382033397e-19 -4.85084610769644e-19 -8.893666473567658e-19 -1.447939895974722e-18 -2.2309508540133e-18 -3.3492861663116395e-18 -4.9843074213086394e-18 -7.445010404637539e-18 -1.127196951260994e-17 -1.7427996771661798e-17 -2.76128734163364e-17 -4.4543714778467996e-17 -7.07638160468682e-17 ] } }