{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" ] } "a" { "source-value" [ 6.76893 6.315387 6.034299 5.830073 5.669577 5.537346 5.4249 5.327081 5.240519 5.162887 5.092515 5.02816 4.968873 4.913915 4.862695 4.814739 4.769653 4.727115 4.686851 4.648631 4.612257 4.57756 4.54439 4.51262 4.490992 4.468229 4.444206 4.418775 4.39176 4.362952 4.332095 4.298875 4.2629 4.223672 4.180542 4.132649 4.078807 4.017328 3.94568 3.85982 3.752677 3.6101 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.768930000000001e-10 6.315387000000001e-10 6.034299e-10 5.830073e-10 5.669577000000001e-10 5.537346e-10 5.424900000000001e-10 5.327081e-10 5.240519000000001e-10 5.162887e-10 5.092515e-10 5.02816e-10 4.968873000000001e-10 4.913915000000001e-10 4.862695000000001e-10 4.814739000000001e-10 4.769653e-10 4.727115000000001e-10 4.686851000000001e-10 4.648631e-10 4.612257e-10 4.5775600000000005e-10 4.5443900000000003e-10 4.51262e-10 4.4909920000000003e-10 4.468229e-10 4.4442060000000004e-10 4.418775e-10 4.39176e-10 4.362952e-10 4.332095e-10 4.298875e-10 4.2629000000000003e-10 4.223672e-10 4.180542e-10 4.132649e-10 4.0788070000000006e-10 4.0173280000000003e-10 3.94568e-10 3.85982e-10 3.752677e-10 3.6101000000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.348941 0.520536 0.65788 0.770862 0.869809 0.95606 1.0319 1.09894 1.15837 1.21113 1.25793 1.29938 1.33597 1.3681 1.39613 1.42035 1.44105 1.45843 1.47271 1.48407 1.49267 1.49866 1.50216 1.50331 1.50275 1.50093 1.49754 1.49223 1.48451 1.47378 1.45922 1.43974 1.41386 1.37948 1.33361 1.2718 1.18719 1.06867 0.897081 0.636566 0.211725 -0.566493 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.59065116844594e-20 8.33990616355824e-20 1.0540399639759199e-19 1.235057084438508e-19 1.393587655842906e-19 1.53177699270204e-19 1.6532860686246e-19 1.76069599016796e-19 1.8559133475265798e-19 1.9404441867364199e-19 2.01542605320762e-19 2.0818362746869199e-19 2.14045991772498e-19 2.1919378529754e-19 2.23684686402642e-19 2.2756515821019e-19 2.3088166384257e-19 2.33666246832462e-19 2.35954155065814e-19 2.3777422772203797e-19 2.3915209962727797e-19 2.40111803431044e-19 2.4067256525294396e-19 2.40856815565854e-19 2.4076709367435e-19 2.40475497526962e-19 2.39932359648036e-19 2.39081603855382e-19 2.37844723493934e-19 2.36125587965652e-19 2.3379281878654797e-19 2.30671778703516e-19 2.2652534557472397e-19 2.21017062307032e-19 2.1366787808687397e-19 2.0376482431212e-19 1.9020880781184597e-19 1.7121981034567798e-19 1.4372822170053539e-19 1.0198911711988439e-19 3.3922084783365e-20 -9.07621847924562e-20 ] } }