{ "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" [ "Se" "Se" "Se" "Se" ] } "a" { "source-value" [ 6.01566 5.612589 5.362781 5.181282 5.038647 4.921131 4.821198 4.734265 4.657336 4.588343 4.525802 4.468609 4.41592 4.367077 4.321558 4.278938 4.23887 4.201065 4.165282 4.131315 4.098989 4.068153 4.038675 4.01044 3.991218 3.970989 3.949639 3.927038 3.903029 3.877427 3.850003 3.82048 3.788508 3.753645 3.715315 3.672751 3.624901 3.570263 3.506588 3.430282 3.335062 3.20835 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.01566e-10 5.612589e-10 5.362781e-10 5.181282000000001e-10 5.038647e-10 4.921131e-10 4.821198e-10 4.734265e-10 4.657336e-10 4.5883430000000003e-10 4.5258019999999996e-10 4.468609e-10 4.41592e-10 4.3670770000000003e-10 4.321558e-10 4.2789380000000003e-10 4.2388700000000005e-10 4.201065e-10 4.1652820000000005e-10 4.131315e-10 4.0989890000000006e-10 4.068153e-10 4.0386749999999995e-10 4.0104400000000003e-10 3.991218e-10 3.970989e-10 3.949639e-10 3.927038e-10 3.9030290000000003e-10 3.8774270000000003e-10 3.850003e-10 3.82048e-10 3.7885080000000004e-10 3.753645e-10 3.715315e-10 3.672751e-10 3.624901e-10 3.570263e-10 3.506588e-10 3.430282e-10 3.3350620000000005e-10 3.20835e-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 0.52529 1.75348 2.1922 2.48387 2.74777 2.98914 3.21157 3.41766 3.60937 3.78825 3.95551 4.11217 4.25906 4.39688 4.52624 4.64765 4.76158 4.86842 4.96853 5.06221 5.14863 5.202 5.21756 5.21137 5.19363 5.16618 5.13166 5.09321 5.05425 5.01812 4.98783 4.96588 4.95434 4.95525 4.95063 4.91749 4.83728 4.67583 4.36459 3.74828 0.641293 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 8.416073571400321e-20 2.809384661040384e-19 3.5122915881177603e-19 3.9795984431064965e-19 4.402412853335617e-19 4.789130224298112e-19 5.145502370062656e-19 5.475694949843328e-19 5.782848229816896e-19 6.069445583745601e-19 6.337425645340608e-19 6.588422634755136e-19 6.823766358584448e-19 7.044578340463105e-19 7.251835908129791e-19 7.44635617166112e-19 7.628892154068865e-19 7.800068704235137e-19 7.960462605743425e-19 8.110554511579969e-19 8.249014615149504e-19 8.334522781401601e-19 8.359452649621249e-19 8.349535176338496e-19 8.321112563085504e-19 8.277132814844544e-19 8.2218256778945285e-19 8.1602219868247685e-19 8.0978011856784e-19 8.039914544368896e-19 7.991384614524864e-19 7.956216837698305e-19 7.937727719494273e-19 7.939185700219201e-19 7.931783644231105e-19 7.878687511017793e-19 7.750176924263424e-19 7.491505508835265e-19 6.992844057377472e-19 6.005406584212224e-19 1.0274646516826945e-19 ] } }