{ "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" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 5.40849 5.046101 4.821507 4.658327 4.530088 4.424433 4.334587 4.256428 4.187263 4.125235 4.069006 4.017585 3.970214 3.926301 3.885376 3.847058 3.811034 3.777045 3.744874 3.714335 3.685272 3.657548 3.631045 3.60566 3.588379 3.570191 3.550996 3.530676 3.509091 3.486073 3.461417 3.434874 3.406129 3.374785 3.340324 3.302056 3.259036 3.209913 3.152665 3.084061 2.998452 2.88453 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.408489999999999e-10 5.046101e-10 4.821507000000001e-10 4.658327e-10 4.5300880000000005e-10 4.424433e-10 4.334587e-10 4.256428e-10 4.1872629999999997e-10 4.125235e-10 4.069006e-10 4.0175850000000006e-10 3.970214e-10 3.926301e-10 3.885376e-10 3.847058e-10 3.811034e-10 3.7770450000000004e-10 3.744874e-10 3.714335e-10 3.685272e-10 3.657548e-10 3.631045e-10 3.60566e-10 3.5883790000000003e-10 3.570191e-10 3.550996e-10 3.530676e-10 3.5090910000000006e-10 3.486073e-10 3.4614170000000003e-10 3.434874e-10 3.406129e-10 3.3747850000000005e-10 3.3403239999999997e-10 3.302056e-10 3.259036e-10 3.209913e-10 3.152665e-10 3.084061e-10 2.998452e-10 2.88453e-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" [ 1.03967 1.60644 2.04742 2.39145 2.66796 2.90242 3.11808 3.3196 3.49841 3.64772 3.76747 3.86147 3.93438 3.99065 4.03423 4.06845 4.09589 4.11842 4.13716 4.15264 4.16494 4.17393 4.17942 4.18127 4.18035 4.17729 4.17159 4.16271 4.15003 4.13286 4.11035 4.08149 4.04508 3.99946 3.94186 3.86726 3.76677 3.62624 3.42908 3.12782 2.04019 -4.39752 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.6657349673471362e-19 2.5738006107179524e-19 3.2803284569583357e-19 3.83152527981216e-19 4.274543137229568e-19 4.650189467742336e-19 4.995714877784064e-19 5.31858551040768e-19 5.605070711972928e-19 5.844291703224576e-19 6.036152353565376e-19 6.186756955920577e-19 6.303571653343104e-19 6.39372613179552e-19 6.463548988929985e-19 6.518375472893761e-19 6.562339199368512e-19 6.598436238635137e-19 6.628461028508928e-19 6.653262722598912e-19 6.672969495034751e-19 6.687373062855745e-19 6.696169012503937e-19 6.699133039252416e-19 6.69765903676128e-19 6.692756376301633e-19 6.683623969563072e-19 6.669396641170367e-19 6.649081041618625e-19 6.621571669039488e-19 6.585506673305281e-19 6.5392678560289915e-19 6.480932605265663e-19 6.407841307824768e-19 6.315555934466689e-19 6.196033558555009e-19 6.035030829930817e-19 5.809876949409793e-19 5.493991806852865e-19 5.011320078070656e-19 3.268744719989952e-19 -7.045603733500416e-19 ] } }