{ "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" [ 9.24821 8.628545 8.244502 7.965473 7.746191 7.565527 7.411895 7.278248 7.15998 7.053914 6.957766 6.869839 6.788838 6.713749 6.643769 6.578247 6.516648 6.458529 6.403518 6.351299 6.301602 6.254195 6.208877 6.16547 6.13592 6.10482 6.071997 6.037252 6.000343 5.960983 5.918823 5.873436 5.824284 5.770687 5.71176 5.646325 5.572763 5.488765 5.390875 5.273566 5.12718 4.93238 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.24821e-10 8.628545000000001e-10 8.244502000000001e-10 7.965473000000001e-10 7.746191e-10 7.565527000000001e-10 7.411895e-10 7.278248e-10 7.15998e-10 7.053914e-10 6.957766000000001e-10 6.869839e-10 6.788838e-10 6.713749e-10 6.643769e-10 6.578247000000001e-10 6.516648e-10 6.458529000000001e-10 6.403518e-10 6.351299e-10 6.301602e-10 6.254195e-10 6.208877e-10 6.16547e-10 6.13592e-10 6.104820000000001e-10 6.071996999999999e-10 6.037252e-10 6.000343e-10 5.960983e-10 5.918823e-10 5.873436e-10 5.824283999999999e-10 5.770687e-10 5.711760000000001e-10 5.646325e-10 5.572763e-10 5.488765e-10 5.390875000000001e-10 5.273566e-10 5.12718e-10 4.93238e-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" [ 0.407585 0.552399 0.658183 0.741665 0.810559 0.869727 0.920151 0.963438 1.00073 1.03516 1.06521 1.09134 1.11397 1.13342 1.14999 1.1639 1.17536 1.18455 1.19161 1.1975 1.20313 1.20705 1.20934 1.21008 1.20972 1.20853 1.20633 1.20287 1.19799 1.19234 1.18439 1.17346 1.15864 1.13864 1.1116 1.07475 1.02376 0.952347 0.849756 0.691874 0.439464 -0.0337019 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.53023157988768e-20 8.850407631532992e-20 1.0545254148080064e-19 1.1882783234656322e-19 1.2986586795790274e-19 1.3934562658785217e-19 1.474244419805741e-19 1.5435978391903105e-19 1.603346209733184e-19 1.6585091507873282e-19 1.706654558242368e-19 1.748519433343872e-19 1.784776690272576e-19 1.8159390255471362e-19 1.8424870921537923e-19 1.86477336894912e-19 1.883134313023488e-19 1.89785831616864e-19 1.9091696831114882e-19 1.918606503408e-19 1.927626757783104e-19 1.93390729013664e-19 1.9375762745982723e-19 1.9387618852976641e-19 1.938185101714176e-19 1.9362785115354242e-19 1.932753722969664e-19 1.9272101918616962e-19 1.9193915699521923e-19 1.910339272044672e-19 1.8976019679093122e-19 1.880090177443968e-19 1.8563459199237119e-19 1.8243023875077122e-19 1.78097953168128e-19 1.7219393232048002e-19 1.640244337310208e-19 1.5258280982890178e-19 1.3614591965845249e-19 1.1085043473393793e-19 7.040989464832513e-20 -5.399639625653952e-21 ] } }