{ "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 8.33493 7.776459 7.430341 7.178868 6.98124 6.818417 6.679957 6.559507 6.452919 6.357327 6.270675 6.191431 6.118428 6.050755 5.987686 5.928634 5.873118 5.820739 5.77116 5.724098 5.679309 5.636583 5.59574 5.55662 5.529988 5.501959 5.472378 5.441063 5.407799 5.372326 5.33433 5.293425 5.249127 5.200823 5.147715 5.088742 5.022444 4.946741 4.858517 4.752793 4.620863 4.4453 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.33493e-10 7.776459e-10 7.430341e-10 7.178868e-10 6.98124e-10 6.818417e-10 6.679957e-10 6.559507e-10 6.452918999999999e-10 6.357327e-10 6.270675e-10 6.191430999999999e-10 6.118428e-10 6.050755e-10 5.987686000000001e-10 5.928634e-10 5.873118e-10 5.820738999999999e-10 5.77116e-10 5.724098e-10 5.679309e-10 5.636583e-10 5.59574e-10 5.556619999999999e-10 5.529988000000001e-10 5.501959000000001e-10 5.472378e-10 5.441063e-10 5.407799e-10 5.372326e-10 5.33433e-10 5.293425e-10 5.249127e-10 5.200823e-10 5.147715e-10 5.088742e-10 5.022444000000001e-10 4.946741000000001e-10 4.858517000000001e-10 4.752793e-10 4.620863e-10 4.4452999999999996e-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" [ 0 0 0.33251 0.922579 1.34121 1.54102 1.63111 1.70927 1.77754 1.83738 1.88986 1.93589 1.97614 2.01122 2.04159 2.06766 2.08979 2.10828 2.12339 2.13534 2.14435 2.1506 2.15424 2.15542 2.15485 2.15298 2.1495 2.14407 2.1362 2.12529 2.11053 2.09086 2.06481 2.03035 1.98457 1.92317 1.83953 1.72301 1.55535 1.30258 0.887429 0.272794 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 5.32739748182208e-20 1.4781345046410433e-19 2.1488553055831682e-19 2.4689862161852164e-19 2.6133263079530883e-19 2.7385524326348164e-19 2.847933030536832e-19 2.943807279525504e-19 3.0278895085850884e-19 3.1016376984405123e-19 3.166125307427712e-19 3.2223296632853757e-19 3.2709877672590716e-19 3.312756511763328e-19 3.348212680381632e-19 3.3778369261002246e-19 3.4020458148405123e-19 3.4211918254590716e-19 3.4356274368124806e-19 3.44564104069248e-19 3.4514729635921925e-19 3.453363532004736e-19 3.4524502913308803e-19 3.449454221049984e-19 3.4438786464096004e-19 3.4351788273586565e-19 3.4225696973529605e-19 3.405089950420032e-19 3.3814418234970237e-19 3.3499270093658884e-19 3.3081903083940484e-19 3.25297930204128e-19 3.179631656341056e-19 3.081258011823936e-19 2.947251959260224e-19 2.760566339404608e-19 2.4919454071612803e-19 2.0869632227216643e-19 1.4218179964199234e-19 4.370641690945152e-20 ] } }