{ "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" [ "Ca" "Ca" "Ca" "Ca" ] } "a" { "source-value" [ 8.33991 7.781105 7.43478 7.183157 6.985411 6.822491 6.683948 6.563427 6.456774 6.361126 6.274421 6.19513 6.122084 6.05437 5.991263 5.932176 5.876627 5.824216 5.774608 5.727518 5.682702 5.639951 5.599084 5.55994 5.520368 5.479588 5.437525 5.394096 5.349209 5.302761 5.254642 5.204726 5.152874 5.098929 5.042715 4.984034 4.922658 4.858328 4.790745 4.719564 4.644378 4.56471 4.479992 4.389541 4.292522 4.187908 4.074408 3.950369 3.813634 3.661304 3.489358 3.291986 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.33991e-10 7.781105000000001e-10 7.43478e-10 7.183157e-10 6.985411e-10 6.822491e-10 6.683948e-10 6.563427000000001e-10 6.456774000000001e-10 6.361126e-10 6.274421e-10 6.19513e-10 6.122084e-10 6.05437e-10 5.991263e-10 5.932176e-10 5.876627e-10 5.824216e-10 5.774608e-10 5.727518e-10 5.682702e-10 5.639951e-10 5.599084000000001e-10 5.55994e-10 5.520368000000001e-10 5.479588e-10 5.437525e-10 5.394096000000001e-10 5.349209e-10 5.302761000000001e-10 5.254642e-10 5.204726000000001e-10 5.152874e-10 5.098929e-10 5.042715e-10 4.984034e-10 4.922658e-10 4.858328e-10 4.790745000000001e-10 4.719564e-10 4.6443779999999997e-10 4.56471e-10 4.4799920000000006e-10 4.3895410000000003e-10 4.292522e-10 4.1879080000000006e-10 4.0744080000000004e-10 3.950369e-10 3.813634e-10 3.661304e-10 3.4893580000000004e-10 3.2919860000000003e-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" [ 0.650311 0.864717 1.02258 1.1483 1.25243 1.34062 1.4164 1.48215 1.53957 1.58983 1.63387 1.67244 1.70617 1.73557 1.761 1.78283 1.80135 1.81681 1.82944 1.83945 1.847 1.85222 1.85527 1.85626 1.85519 1.85175 1.84557 1.83612 1.8228 1.80494 1.78169 1.75201 1.71471 1.66823 1.61072 1.53983 1.45269 1.34558 1.21376 1.05125 0.850045 0.599597 0.285766 -0.111035 -0.618255 -1.27494 -2.13893 -3.2982 -4.89204 -7.15218 -10.4866 -15.6728 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0419130890331739e-19 1.3854293724225779e-19 1.6383537823957198e-19 1.8397794288222e-19 2.0066140817206196e-19 2.1479100390730798e-19 2.2693229843976e-19 2.3746660980831e-19 2.46666308040738e-19 2.54718847803222e-19 2.6177483369935796e-19 2.6795442897669596e-19 2.73358570763178e-19 2.7806897006713797e-19 2.8214330524739996e-19 2.8564085683942195e-19 2.8860808796558997e-19 2.91085053041754e-19 2.93108602130496e-19 2.9471238094113e-19 2.9592202429979996e-19 2.96758360502748e-19 2.97247024376118e-19 2.9740563986288397e-19 2.9723420696304595e-19 2.9668305820095e-19 2.95692913041138e-19 2.9417885612200796e-19 2.9204475684552e-19 2.89183269377196e-19 2.8545820870314597e-19 2.80702948453434e-19 2.74726829608614e-19 2.67279912613782e-19 2.5806579479164797e-19 2.46707964633222e-19 2.32746597444546e-19 2.1558568351777198e-19 1.9446579112838399e-19 1.6842881864924998e-19 1.36192223684853e-19 9.60660303216498e-20 4.57847607991644e-20 -1.7789768255618998e-20 -9.905537148536699e-20 -2.0426790777519598e-19 -3.42694366776162e-19 -5.2842989742588e-19 -7.837912180593359e-19 -1.145905567816212e-18 -1.6801385490104398e-18 -2.51105939493552e-18 ] } }