{ "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.19577 7.646624 7.306285 7.059011 6.864683 6.704579 6.56843 6.449992 6.345183 6.251188 6.165982 6.088061 6.016277 5.949734 5.887718 5.829652 5.775063 5.723559 5.674808 5.628531 5.58449 5.542478 5.502317 5.46385 5.424961 5.384887 5.343551 5.300872 5.25676 5.211116 5.163828 5.114774 5.063818 5.010805 4.955563 4.897896 4.83758 4.774362 4.707948 4.637996 4.564109 4.485819 4.402565 4.313676 4.218334 4.115528 4.003989 3.882094 3.747722 3.598024 3.429049 3.235088 3.007447 2.73192 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.19577e-10 7.646624000000001e-10 7.306285e-10 7.059011000000001e-10 6.864683000000001e-10 6.704579e-10 6.56843e-10 6.449992e-10 6.345183e-10 6.251188e-10 6.165982e-10 6.088061e-10 6.016277e-10 5.949734e-10 5.887718e-10 5.829652e-10 5.775063000000001e-10 5.723559e-10 5.674807999999999e-10 5.628531e-10 5.58449e-10 5.542478e-10 5.502317e-10 5.46385e-10 5.424961e-10 5.384887e-10 5.343551e-10 5.300872e-10 5.256760000000001e-10 5.211116e-10 5.163828e-10 5.114774e-10 5.063818e-10 5.010805e-10 4.955563e-10 4.897896e-10 4.83758e-10 4.774362e-10 4.707948000000001e-10 4.637996e-10 4.5641090000000006e-10 4.4858190000000005e-10 4.402565e-10 4.3136760000000004e-10 4.218334e-10 4.1155280000000006e-10 4.003989e-10 3.882094e-10 3.747722e-10 3.5980240000000003e-10 3.4290490000000004e-10 3.2350880000000003e-10 3.007447e-10 2.7319200000000003e-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" [ 6.63798 0.482633 1.50868 2.81021 3.17476 3.38027 3.61237 3.76581 3.86229 3.93417 3.99827 4.06569 4.14004 4.21848 4.29485 4.36504 4.42708 4.47897 4.51997 4.55166 4.57476 4.5897 4.5976 4.59998 4.59811 4.5923 4.58124 4.56261 4.53358 4.4919 4.43661 4.36737 4.28238 4.17589 4.03224 3.83595 3.59804 3.32403 2.98796 2.52934 1.85482 0.636291 -0.936028 -3.1803 -6.81543 -13.2663 -25.3195 -33.191 -33.7318 -34.8348 -37.2012 -41.968 -52.7987 -79.6672 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0635216452959318e-18 7.732633153973219e-20 2.41717184418312e-19 4.50245279863314e-19 5.08652629055784e-19 5.41578961061118e-19 5.78765480736258e-19 6.03349279008354e-19 6.188070791731859e-19 6.30323524818378e-19 6.40593477042318e-19 6.513953519087459e-19 6.633075351825359e-19 6.758750086996319e-19 6.8811083165349e-19 6.993565094475359e-19 7.09296413284872e-19 7.17610107838698e-19 7.241790320380979e-19 7.292563297912439e-19 7.32957357815784e-19 7.353510097069799e-19 7.366167292478399e-19 7.36998047286732e-19 7.36698440256174e-19 7.3576757563182e-19 7.33995568274616e-19 7.31010713205474e-19 7.263595944369719e-19 7.1968172222646e-19 7.10823287617074e-19 6.99729816603258e-19 6.86112917390892e-19 6.6905133841542595e-19 6.46036071068016e-19 6.145869459192299e-19 5.76469561619736e-19 5.32568319671502e-19 4.78723969532664e-19 4.0524494474415595e-19 2.9717492642758796e-19 1.019450572624494e-19 -1.499682190369752e-19 -5.0954023491101995e-19 -1.091952269666262e-18 -2.1254955879634196e-18 -4.0566311284563e-18 -5.3177844659094e-18 -5.40443017827612e-18 -5.58115026100632e-18 -5.96028933967608e-18 -6.7240148975712e-18 -8.45928434455758e-18 -1.2764092633620478e-17 ] } }