{ "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" [ "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" [ 6.02102 5.617589 5.367558 5.185898 5.043134 4.925514 4.825492 4.738481 4.661483 4.592429 4.529832 4.472588 4.419852 4.370966 4.325406 4.282747 4.242644 4.204805 4.16899 4.134993 4.102638 4.071774 4.04227 4.01401 3.994771 3.974524 3.953155 3.930534 3.906504 3.880879 3.853431 3.823882 3.791882 3.756988 3.718624 3.676022 3.62813 3.573443 3.509712 3.433338 3.338034 3.21121 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.02102e-10 5.617589e-10 5.367558e-10 5.185898e-10 5.043134e-10 4.925514e-10 4.825492e-10 4.738481e-10 4.661483e-10 4.592429e-10 4.529832e-10 4.472588e-10 4.4198519999999996e-10 4.370966e-10 4.325406e-10 4.2827469999999996e-10 4.2426440000000005e-10 4.2048050000000003e-10 4.16899e-10 4.134993e-10 4.102638e-10 4.071774e-10 4.0422700000000004e-10 4.01401e-10 3.994771e-10 3.9745240000000005e-10 3.9531550000000005e-10 3.9305340000000005e-10 3.906504e-10 3.8808790000000006e-10 3.8534310000000004e-10 3.823882e-10 3.7918820000000006e-10 3.7569880000000004e-10 3.7186240000000004e-10 3.6760220000000003e-10 3.6281300000000004e-10 3.573443e-10 3.509712e-10 3.433338e-10 3.338034e-10 3.21121e-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" [ 0.547439 0.849982 1.8368 2.49256 3.03239 3.44711 3.90564 4.42512 4.93125 5.37247 5.72116 5.97734 6.16028 6.28874 6.37642 6.43641 6.47772 6.50597 6.52561 6.53939 6.54891 6.55572 6.56063 6.56254 6.56146 6.5576 6.54981 6.53664 6.51722 6.4952 6.469 6.43391 6.38042 6.29242 6.1531 5.94183 5.62845 5.15875 4.45594 3.36231 1.61691 -1.20699 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.770939671141313e-20 1.3618212885008258e-19 2.94287801708544e-19 3.9935213579412483e-19 4.858424363147712e-19 5.522879051325889e-19 6.257525097261313e-19 7.089823808234496e-19 7.900733461320001e-19 8.607645829949376e-19 9.16630879585613e-19 9.576754402572673e-19 9.869856593581824e-19 1.0075672202289793e-18 1.0216151048401538e-18 1.0312265623883328e-18 1.0378451540088577e-18 1.0423713029626175e-18 1.045517977845869e-18 1.0477257772293312e-18 1.0492510493723328e-18 1.0503421316510977e-18 1.0511288003719103e-18 1.0514348161064832e-18 1.051261781031437e-18 1.050643340855808e-18 1.0493952452682049e-18 1.0472851786586113e-18 1.0441737516610176e-18 1.040645758742016e-18 1.03644805599552e-18 1.030826018233133e-18 1.0222559754884737e-18 1.0081568212254337e-18 9.85835296544448e-19 9.519861110768065e-19 9.01777100134176e-19 8.265228642552001e-19 7.139202891687552e-19 5.387014473882048e-19 2.590575399937728e-19 -1.933811159539392e-19 ] } }