{ "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" [ "Re" "Re" "Re" "Re" ] } "a" { "source-value" [ 5.84647 5.454736 5.211954 5.035561 4.896937 4.782726 4.685604 4.601116 4.526351 4.459299 4.398517 4.342932 4.291725 4.244256 4.200017 4.158596 4.119655 4.082914 4.048137 4.015126 3.983709 3.95374 3.92509 3.89765 3.878969 3.859308 3.838559 3.816593 3.79326 3.768378 3.741726 3.713033 3.681961 3.648078 3.610826 3.569459 3.522955 3.469854 3.407969 3.333809 3.241268 3.11812 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.84647e-10 5.454736e-10 5.211954000000001e-10 5.035561000000001e-10 4.896937e-10 4.782726e-10 4.685604e-10 4.601116e-10 4.5263510000000004e-10 4.459299e-10 4.398517e-10 4.3429320000000004e-10 4.2917249999999995e-10 4.244256e-10 4.200017e-10 4.1585960000000003e-10 4.119655e-10 4.082914e-10 4.0481369999999996e-10 4.0151260000000005e-10 3.983709e-10 3.95374e-10 3.92509e-10 3.89765e-10 3.878969e-10 3.8593080000000003e-10 3.8385590000000004e-10 3.8165930000000004e-10 3.7932600000000004e-10 3.768378e-10 3.741726e-10 3.713033e-10 3.681961e-10 3.6480780000000003e-10 3.610826e-10 3.5694590000000003e-10 3.5229550000000003e-10 3.4698540000000004e-10 3.407969e-10 3.333809e-10 3.241268e-10 3.11812e-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" [ 1.60804 3.12865 4.06023 4.65789 5.0708 5.38311 5.63238 5.84396 6.04892 6.26437 6.49675 6.74346 6.98744 7.21307 7.41024 7.57234 7.69893 7.79652 7.87071 7.92568 7.96486 7.99115 8.00661 8.01178 8.00919 8.00044 7.98363 7.95669 7.91652 7.85804 7.77402 7.65407 7.48292 7.23765 6.88415 6.37133 5.61526 4.45541 2.58186 -0.650536 -6.76694 -19.6309 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.5763641145373596e-19 5.012649925964099e-19 6.50520563466582e-19 7.46276252174226e-19 8.124317275687199e-19 8.62469306025174e-19 9.02406762980892e-19 9.36305616203064e-19 9.69143828493528e-19 1.003662724073058e-18 1.0408941046939499e-18 1.0804214044313638e-18 1.119511309947696e-18 1.1556612213406378e-18 1.187251338033216e-18 1.213222621270356e-18 1.2335045752801618e-18 1.2491402170513678e-18 1.261026765499014e-18 1.269833930456112e-18 1.2761112585081239e-18 1.28032338087891e-18 1.282800345955074e-18 1.2836286712748518e-18 1.283213707526646e-18 1.2818118029718958e-18 1.2791185440501418e-18 1.2748022801981459e-18 1.268366336659368e-18 1.2589968077037358e-18 1.2455353196248679e-18 1.226317210900038e-18 1.1988959578091279e-18 1.1595993715070099e-18 1.10296242749511e-18 1.020799605350322e-18 8.996638365834839e-19 7.138353796889939e-19 4.1365957642592393e-19 -1.042273578775824e-19 -1.0841833151679959e-18 -3.14521692843906e-18 ] } }