{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "sc" ] } "species" { "source-value" [ "Fe" ] } "a" { "source-value" [ 3.92496 3.661973 3.498984 3.380564 3.287501 3.210827 3.145625 3.088905 3.038712 2.993697 2.952892 2.915576 2.881198 2.849331 2.819631 2.791823 2.765681 2.741015 2.717668 2.695506 2.674415 2.654295 2.635062 2.61664 2.604099 2.5909 2.57697 2.562223 2.546559 2.529855 2.511962 2.492699 2.471839 2.449092 2.424083 2.396312 2.365092 2.329443 2.287898 2.238111 2.175984 2.09331 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.92496e-10 3.661973e-10 3.498984e-10 3.380564e-10 3.287501e-10 3.210827e-10 3.145625e-10 3.088905e-10 3.038712e-10 2.9936970000000003e-10 2.9528919999999997e-10 2.9155760000000004e-10 2.881198e-10 2.8493309999999997e-10 2.8196310000000003e-10 2.791823e-10 2.7656809999999997e-10 2.7410150000000003e-10 2.7176680000000005e-10 2.695506e-10 2.674415e-10 2.654295e-10 2.6350620000000003e-10 2.61664e-10 2.604099e-10 2.5909000000000003e-10 2.57697e-10 2.562223e-10 2.546559e-10 2.529855e-10 2.511962e-10 2.4926990000000003e-10 2.471839e-10 2.449092e-10 2.424083e-10 2.396312e-10 2.3650920000000005e-10 2.329443e-10 2.2878980000000003e-10 2.2381110000000002e-10 2.175984e-10 2.09331e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0 0.0039723 0.0510036 0.134985 0.227781 0.313569 0.387165 0.449414 0.50311 0.549503 0.589417 0.623576 0.652616 0.677088 0.697468 0.714177 0.727579 0.737992 0.745697 0.750944 0.753951 0.754914 0.754459 0.752979 0.750275 0.746101 0.74015 0.732031 0.721247 0.707148 0.688878 0.665276 0.634811 0.600157 0.570412 0.549143 0.529537 0.479517 0.304908 -0.228281 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 6.36432619080384e-22 8.171677549663489e-21 2.16269811158688e-20 3.6494539286244486e-20 5.023929208076352e-20 6.20306711392032e-20 7.200406038602112e-20 8.060710796906879e-20 8.804008596594624e-20 9.443501373020736e-20 9.99078888491981e-20 1.0456060975600128e-19 1.0848145638242305e-19 1.1174669233561345e-19 1.1442376925130816e-19 1.1657100635850432e-19 1.1823935287374337e-19 1.1947382996006978e-19 1.2031449203300353e-19 1.207962665428781e-19 1.2095055615146113e-19 1.2087765711521473e-19 1.2064053497533632e-19 1.20207306417072e-19 1.195385578955501e-19 1.18585102588512e-19 1.1728429539008447e-19 1.1555650812221375e-19 1.1329759930454786e-19 1.1037042261834625e-19 1.0658896535793408e-19 1.0170793428266689e-19 9.615575142094657e-20 9.139007706237697e-20 8.798240760759746e-20 8.484118012485697e-20 7.682709266761537e-20 4.885164690948864e-20 -3.657464811728448e-20 ] } }