{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Fe" "Fe" ] } "a" { "source-value" [ 4.30013 4.012005 3.833436 3.703697 3.601737 3.517734 3.4463 3.384158 3.329167 3.279849 3.235144 3.19426 3.156597 3.121683 3.089145 3.058679 3.030037 3.003014 2.977435 2.953155 2.930047 2.908005 2.886933 2.86675 2.85301 2.838549 2.823288 2.807132 2.789971 2.77167 2.752067 2.730963 2.708109 2.683188 2.655789 2.625363 2.591159 2.552103 2.506586 2.452041 2.383976 2.2934 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.30013e-10 4.012005e-10 3.833436e-10 3.703697e-10 3.601737e-10 3.517734e-10 3.4463000000000003e-10 3.384158e-10 3.329167e-10 3.279849e-10 3.235144e-10 3.19426e-10 3.1565970000000003e-10 3.121683e-10 3.089145e-10 3.058679e-10 3.0300370000000003e-10 3.003014e-10 2.977435e-10 2.9531550000000003e-10 2.930047e-10 2.908005e-10 2.8869330000000003e-10 2.8667500000000005e-10 2.85301e-10 2.838549e-10 2.823288e-10 2.8071320000000004e-10 2.789971e-10 2.77167e-10 2.752067e-10 2.7309630000000003e-10 2.708109e-10 2.683188e-10 2.655789e-10 2.625363e-10 2.591159e-10 2.552103e-10 2.506586e-10 2.452041e-10 2.3839760000000004e-10 2.2934e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.980612 1.47683 1.87297 2.20309 2.49442 2.77653 3.04587 3.26763 3.43066 3.55341 3.65541 3.74545 3.82585 3.89783 3.96322 4.02388 4.08063 4.13276 4.1786 4.21638 4.24518 4.26513 4.27664 4.28032 4.27859 4.27299 4.2627 4.24657 4.22311 4.19039 4.14569 4.08527 4.00395 3.89458 3.74705 3.54668 3.27114 2.88447 2.32451 1.47294 0.0737849 -2.5119 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.571113633420008e-19 2.36614251839022e-19 3.00082877018298e-19 3.52973932059906e-19 3.9965014393822797e-19 4.44849148960002e-19 4.880021744201579e-19 5.23532043455742e-19 5.49652329119844e-19 5.693190473021939e-19 5.85661248968994e-19 6.0008724738153e-19 6.129687475188899e-19 6.245012149304219e-19 6.34977847940148e-19 6.44696651401992e-19 6.53789003799942e-19 6.62141150592984e-19 6.6948552828324e-19 6.755385516064919e-19 6.80152820312412e-19 6.83349162697242e-19 6.85193268002976e-19 6.857828690042879e-19 6.85505692446606e-19 6.846084735315659e-19 6.829598337751799e-19 6.80375522864538e-19 6.76616816481174e-19 6.713744945347259e-19 6.64212764980746e-19 6.54532413758118e-19 6.415035133704299e-19 6.23980507524372e-19 6.0034359564297e-19 5.682407824275119e-19 5.24094407454276e-19 4.62143043547398e-19 3.72427560749934e-19 2.3599100512839596e-19 1.182164427220266e-20 -4.0245074869445994e-19 ] } }