{ "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" [ "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" ] } "a" { "source-value" [ 12.6754 11.826096 11.299731 10.917299 10.616754 10.369139 10.158572 9.975397 9.813301 9.667929 9.53615 9.415639 9.304619 9.201704 9.10579 9.015986 8.93156 8.851903 8.776505 8.704934 8.636821 8.571846 8.509733 8.45024 8.409739 8.367114 8.322128 8.274506 8.223919 8.169974 8.112191 8.049984 7.982617 7.909158 7.828394 7.73871 7.637887 7.522761 7.388594 7.227813 7.027179 6.76019 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.26754e-09 1.1826096e-09 1.1299731e-09 1.0917299e-09 1.0616754e-09 1.0369139e-09 1.0158572e-09 9.975397e-10 9.813301e-10 9.667929e-10 9.53615e-10 9.415639e-10 9.304619000000001e-10 9.201704e-10 9.105790000000001e-10 9.015986e-10 8.931559999999999e-10 8.851903e-10 8.776505e-10 8.704934e-10 8.636821e-10 8.571846000000002e-10 8.509733000000001e-10 8.450240000000001e-10 8.409739e-10 8.367114000000001e-10 8.322127999999999e-10 8.274506000000001e-10 8.223919000000001e-10 8.169974e-10 8.112190999999999e-10 8.049984e-10 7.982617e-10 7.909158e-10 7.828394000000001e-10 7.73871e-10 7.637887e-10 7.522761e-10 7.388594000000001e-10 7.227813000000001e-10 7.027179000000001e-10 6.76019e-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" [ 1.38075 2.06967 2.67514 3.23008 3.74879 4.2347 4.69308 5.12397 5.52871 5.90812 6.26305 6.59418 6.90062 7.18224 7.43987 7.67311 7.8806 8.06193 8.21664 8.34421 8.44411 8.51578 8.55992 8.57482 8.56732 8.54206 8.49399 8.4164 8.30074 8.13458 7.90084 7.57563 7.12436 6.4957 5.61084 4.34474 2.48648 -0.336408 -4.84183 -12.5624 -27.2769 -60.787 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.2122053691696e-19 3.315976886771136e-19 4.286046765366912e-19 5.175158659313664e-19 6.006223694288832e-19 6.78473733610176e-19 7.519143055544064e-19 8.209504939680576e-19 8.857969905183168e-19 9.465851736880896e-19 1.003451228490144e-18 1.0565041029346944e-18 1.1056012033024896e-18 1.1507217012974593e-18 1.1919985775791297e-18 1.229367745082669e-18 1.2626113077876482e-18 1.2916635764526146e-18 1.3164508509530113e-18 1.336889818104557e-18 1.352895562546349e-18 1.3643783623876223e-18 1.3714503699918337e-18 1.3738376131568257e-18 1.3726359806912258e-18 1.3685888825470847e-18 1.3608872195308993e-18 1.348455931130112e-18 1.3299251563339392e-18 1.3033033896027264e-18 1.2658541132681473e-18 1.2137497273831105e-18 1.1414483030162689e-18 1.040725867573056e-18 8.989556671049473e-19 6.961040851454592e-19 3.983780124086784e-19 -5.389850326500864e-20 -7.757466827888064e-19 -2.0127183581137923e-18 -4.370241146789952e-18 -9.73915102485696e-18 ] } }