{ "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" [ "As" "As" "As" "As" "As" "As" "As" "As" ] } "a" { "source-value" [ 8.96016 8.359796 7.987715 7.717378 7.504925 7.329889 7.181042 7.051557 6.936973 6.834211 6.741058 6.65587 6.577391 6.504642 6.436842 6.37336 6.31368 6.257371 6.204073 6.153481 6.105332 6.059402 6.015495 5.97344 5.94481 5.914678 5.882878 5.849215 5.813455 5.775321 5.734474 5.6905 5.642879 5.590951 5.533859 5.470462 5.399191 5.317809 5.222966 5.109311 4.967484 4.77875 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.96016e-10 8.359795999999999e-10 7.987715e-10 7.717378e-10 7.504925e-10 7.329889e-10 7.181042e-10 7.051557e-10 6.936973000000001e-10 6.834211e-10 6.741058e-10 6.65587e-10 6.577391000000001e-10 6.504641999999999e-10 6.436842000000001e-10 6.373360000000001e-10 6.31368e-10 6.257371000000001e-10 6.204073e-10 6.153481000000001e-10 6.105332e-10 6.059402e-10 6.015495e-10 5.973440000000001e-10 5.944810000000001e-10 5.914678e-10 5.882878e-10 5.849215e-10 5.813455000000001e-10 5.775321e-10 5.734474e-10 5.6905e-10 5.642879e-10 5.590951e-10 5.533859e-10 5.470462e-10 5.399191000000001e-10 5.317809e-10 5.222966000000001e-10 5.109311000000001e-10 4.967484e-10 4.77875e-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 0.00740823 0.326641 0.748245 1.12296 1.42634 1.6607 1.83438 1.9562 2.04605 2.12409 2.19186 2.25054 2.30113 2.34448 2.38129 2.4122 2.43774 2.45839 2.47456 2.48662 2.49488 2.49966 2.50119 2.50046 2.49807 2.49367 2.48685 2.47707 2.46365 2.44569 2.42204 2.39115 2.35089 2.2983 2.22912 2.13696 2.01188 1.83744 1.58324 1.16648 0.347167 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 1.1869292907509184e-21 5.233365735947328e-20 1.198820645630496e-19 1.799180258093568e-19 2.285248601311872e-19 2.6607347141625604e-19 2.939000749663104e-19 3.1341779056089603e-19 3.2781334749878406e-19 3.4031673384750717e-19 3.5117468480666886e-19 3.605762572175232e-19 3.6868166874215045e-19 3.756271043933184e-19 3.815247165344832e-19 3.86477044469376e-19 3.905690035588992e-19 3.938774982808512e-19 3.964682178766848e-19 3.984004428813696e-19 3.9972384077015043e-19 4.0048968119489284e-19 4.007348142178752e-19 4.0061785532455683e-19 4.002349351121856e-19 3.995299773990336e-19 3.9843729294364803e-19 3.968703642085056e-19 3.94720243183392e-19 3.918427339724352e-19 3.880535862642432e-19 3.8310446268259204e-19 3.7665409960725126e-19 3.68228252758464e-19 3.571443948957696e-19 3.4237873515847683e-19 3.2233870998551044e-19 2.943903410122752e-19 2.536630113115392e-19 1.868906984630784e-19 5.562228509132736e-20 ] } }