{ "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" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" ] } "a" { "source-value" [ 8.91014 8.313127 7.943122 7.674294 7.463028 7.288968 7.140952 7.01219 6.898245 6.796057 6.703424 6.618711 6.54067 6.468327 6.400905 6.337778 6.278431 6.222436 6.169436 6.119126 6.071246 6.025572 5.98191 5.94009 5.91162 5.881656 5.850034 5.816558 5.780998 5.743077 5.702459 5.65873 5.611375 5.559737 5.502964 5.43992 5.369047 5.288119 5.193806 5.080785 4.93975 4.75207 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.91014e-10 8.313127e-10 7.943122e-10 7.674294e-10 7.463028000000001e-10 7.288967999999999e-10 7.140952000000001e-10 7.012190000000001e-10 6.898245000000001e-10 6.796057000000001e-10 6.703424e-10 6.618711e-10 6.540670000000001e-10 6.468327000000001e-10 6.400905e-10 6.337778000000001e-10 6.278431e-10 6.222436e-10 6.169436000000001e-10 6.119126e-10 6.071246000000001e-10 6.025572000000001e-10 5.98191e-10 5.94009e-10 5.911620000000001e-10 5.881656000000001e-10 5.850034e-10 5.816557999999999e-10 5.780998e-10 5.743077e-10 5.702459e-10 5.658730000000001e-10 5.611375e-10 5.559737e-10 5.502964e-10 5.43992e-10 5.369047e-10 5.288119e-10 5.193806e-10 5.080785e-10 4.93975e-10 4.75207e-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" [ 0.831246 0.924619 0.981954 1.02203 1.05185 1.07485 1.09297 1.14549 1.16967 1.18222 1.1927 1.20145 1.20873 1.21475 1.21967 1.22363 1.22674 1.22909 1.23076 1.23183 1.23234 1.23263 1.24074 1.24257 1.24228 1.24168 1.2408 1.23957 1.23791 1.23574 1.23293 1.22932 1.22469 1.21877 1.21113 1.2012 1.18808 1.17039 1.14585 1.11031 1.05542 0.96179 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.331802918305964e-19 1.481402957152446e-19 1.573263754462836e-19 1.6374725852470198e-19 1.6852494924728997e-19 1.7220995550549e-19 1.7511309956629798e-19 1.8352773124806598e-19 1.8740179434907797e-19 1.8941252602474799e-19 1.9109160713718e-19 1.9249351169192998e-19 1.93659896281482e-19 1.9462440661515e-19 1.95412677519078e-19 1.9604713946614198e-19 1.96545416399316e-19 1.96921927908306e-19 1.97189491406184e-19 1.97360924306022e-19 1.97442635314356e-19 1.9748909843674196e-19 1.9878846368691598e-19 1.9908166201093798e-19 1.99035198888552e-19 1.9893906829051198e-19 1.9879807674671996e-19 1.98601009020738e-19 1.98335047699494e-19 1.97987375369916e-19 1.97537163735762e-19 1.9695877797088798e-19 1.96216970189346e-19 1.9526848162201797e-19 1.9404441867364199e-19 1.9245345727608e-19 1.9035140153227198e-19 1.87517151066726e-19 1.8358540960689e-19 1.7789127384965396e-19 1.69096926305628e-19 1.54095746481486e-19 ] } }