{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 9.29757 8.674598 8.288506 8.007989 7.787536 7.605908 7.451456 7.317096 7.198197 7.091565 6.994904 6.906508 6.825074 6.749585 6.679232 6.61336 6.551432 6.493003 6.437698 6.3852 6.335239 6.287579 6.242018 6.19838 6.154264 6.108801 6.061909 6.013493 5.963451 5.91167 5.858025 5.802377 5.744571 5.684431 5.621763 5.556343 5.48792 5.416203 5.34086 5.261505 5.177685 5.088869 4.994424 4.893585 4.785426 4.6688 4.542266 4.403985 4.251549 4.081727 3.890036 3.67 3.411757 3.09919 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.297570000000001e-10 8.674598e-10 8.288506000000001e-10 8.007989e-10 7.787536e-10 7.605908000000001e-10 7.451456000000001e-10 7.317096e-10 7.198197000000001e-10 7.091565000000001e-10 6.994904000000001e-10 6.906508e-10 6.825074000000001e-10 6.749585e-10 6.679232e-10 6.613360000000001e-10 6.551432000000001e-10 6.493003e-10 6.437698000000001e-10 6.385200000000001e-10 6.335239e-10 6.287579000000001e-10 6.242018e-10 6.198380000000001e-10 6.154264000000001e-10 6.108801e-10 6.061909e-10 6.013493000000001e-10 5.963451e-10 5.91167e-10 5.858025e-10 5.802377e-10 5.744571e-10 5.684431e-10 5.621763e-10 5.556343e-10 5.48792e-10 5.416203e-10 5.34086e-10 5.261504999999999e-10 5.177685e-10 5.088869e-10 4.994424e-10 4.893585e-10 4.785426e-10 4.6688e-10 4.542266e-10 4.403985e-10 4.251549e-10 4.081727e-10 3.890036e-10 3.67e-10 3.4117570000000003e-10 3.0991900000000004e-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" [ 1.13409 1.39866 1.55212 1.66233 1.74989 1.82338 1.88707 1.94329 1.99344 2.03843 2.07883 2.11506 2.1474 2.17608 2.20125 2.22305 2.24159 2.25711 2.26981 2.27989 2.2875 2.2928 2.29589 2.2969 2.29581 2.29229 2.28589 2.27609 2.26222 2.24353 2.21907 2.18769 2.14795 2.09811 2.03596 1.95872 1.86288 1.74392 1.59598 1.41136 1.17983 0.887546 0.515439 0.0366771 -0.587112 -1.41194 -2.52121 -4.04165 -6.1697 -9.21452 -13.6649 -20.2732 -30.0622 -43.7776 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.81701249885306e-19 2.24090037091044e-19 2.48677039716408e-19 2.66334628399722e-19 2.80363287007026e-19 2.9213768309029196e-19 3.0234194607223797e-19 3.11349383108586e-19 3.19384298928096e-19 3.26592491604462e-19 3.3306528520582196e-19 3.38869971150804e-19 3.4405141038516e-19 3.4864645297147194e-19 3.5267913155924996e-19 3.5617187662137e-19 3.59142312100806e-19 3.6162889023677397e-19 3.63663654561954e-19 3.6527864860902597e-19 3.664979050275e-19 3.6734705864352e-19 3.6784213122342597e-19 3.6800395106345994e-19 3.67829313810354e-19 3.6726534763518597e-19 3.66239954589426e-19 3.6466982148810597e-19 3.62447602496748e-19 3.5945313436780193e-19 3.5553421032103794e-19 3.5050658004354595e-19 3.4413953010002995e-19 3.36154281756174e-19 3.26196753975864e-19 3.13821541654848e-19 2.98466280794592e-19 2.79406787556528e-19 2.5570418643313197e-19 2.26124801416224e-19 1.8902960580922199e-19 1.4220054628001637e-19 8.258243220523259e-20 5.8763192622881395e-21 -9.406571279410079e-20 -2.2621772766099596e-19 -4.0394237514071397e-19 -6.475437192806099e-19 -9.8849491787898e-19 -1.476328863752568e-18 -2.1893583485946598e-18 -3.24812473364088e-18 -4.81649544066348e-18 -7.01394478125984e-18 ] } }