{ "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" [ 8.44734 7.881337 7.530551 7.275686 7.075393 6.910375 6.770047 6.647973 6.539947 6.443066 6.355245 6.274932 6.200945 6.132359 6.068439 6.008591 5.952327 5.899241 5.848993 5.801296 5.755903 5.712602 5.671208 5.63156 5.591478 5.550173 5.507569 5.46358 5.418114 5.371068 5.322329 5.27177 5.21925 5.16461 5.107672 5.048235 4.986069 4.92091 4.852457 4.780359 4.704204 4.62351 4.537701 4.446084 4.347816 4.241854 4.126892 4.001256 3.862759 3.708467 3.534306 3.334391 3.099763 2.81578 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.447340000000001e-10 7.881337000000001e-10 7.530551000000001e-10 7.275686000000001e-10 7.075393e-10 6.910375000000001e-10 6.770047e-10 6.647973000000001e-10 6.539947e-10 6.443066e-10 6.355245e-10 6.274932e-10 6.200945000000001e-10 6.132359000000001e-10 6.068438999999999e-10 6.008591000000001e-10 5.952327000000001e-10 5.899241e-10 5.848993e-10 5.801296e-10 5.755903000000001e-10 5.712602e-10 5.671208e-10 5.63156e-10 5.591478000000001e-10 5.550173e-10 5.507569e-10 5.46358e-10 5.418114e-10 5.371068e-10 5.322329e-10 5.27177e-10 5.21925e-10 5.16461e-10 5.107672e-10 5.048235e-10 4.986068999999999e-10 4.92091e-10 4.852457e-10 4.780359e-10 4.704204e-10 4.6235099999999997e-10 4.5377010000000006e-10 4.446084e-10 4.347816e-10 4.241854e-10 4.126892e-10 4.001256e-10 3.862759e-10 3.7084670000000005e-10 3.534306e-10 3.334391e-10 3.099763e-10 2.81578e-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" [ 0.800232 0.898071 1.01494 1.14573 1.28271 1.42028 1.55369 1.6789 1.79276 1.89358 1.98157 2.05792 2.12412 2.18153 2.23125 2.27401 2.3103 2.34049 2.3649 2.38391 2.39795 2.40747 2.41288 2.4146 2.41282 2.40726 2.39756 2.38332 2.36417 2.3396 2.30909 2.27214 2.22828 2.17712 2.11825 2.0511 1.97484 1.88821 1.78948 1.67627 1.54533 1.3918 1.20755 0.97918 0.68541 0.292719 -0.254476 -1.05679 -2.301 -4.30784 -7.60453 -13.1235 -22.7766 -40.428 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.282113012179088e-19 1.4388683718730137e-19 1.6261131529119598e-19 1.8356618348728198e-19 2.05512799019814e-19 2.27553942973752e-19 2.48928581447946e-19 2.6898943508226e-19 2.8723181823698397e-19 3.0338496306097197e-19 3.17482515263538e-19 3.29715133864128e-19 3.40321543181208e-19 3.4951963923700195e-19 3.5748566146125e-19 3.6433656874823397e-19 3.7015086775301997e-19 3.7498783901106597e-19 3.7889875217466e-19 3.81944489955894e-19 3.8419394595002993e-19 3.8571921810559795e-19 3.8658599566459195e-19 3.8686157004564e-19 3.86576382604788e-19 3.8568557239628395e-19 3.8413146106130396e-19 3.8184996153448794e-19 3.78781793280378e-19 3.7484524529063996e-19 3.6995700438030594e-19 3.6403696171767597e-19 3.5700981500095194e-19 3.48813079341408e-19 3.3938106549705e-19 3.2862244939974e-19 3.1640425038885595e-19 3.0252459420851395e-19 2.86706304301032e-19 2.68568062627518e-19 2.47589161781922e-19 2.2299094392011995e-19 1.9347083943866997e-19 1.56881931648012e-19 1.0981478867099398e-19 4.6898754212784596e-20 -4.0771550111378395e-20 -1.6931642450448598e-19 -3.686608434834e-19 -6.901920591010559e-19 -1.2183800278552018e-18 -2.1026165056299e-18 -3.649213632196439e-18 -6.477279695935199e-18 ] } }