{ "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" [ "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "a" { "source-value" [ 10.8511 10.124039 9.673435 9.346048 9.088761 8.876786 8.696527 8.539717 8.400952 8.276503 8.163692 8.060526 7.965485 7.877383 7.795275 7.718397 7.646122 7.57793 7.513385 7.452115 7.393806 7.338183 7.28501 7.23408 7.199408 7.162917 7.124406 7.083638 7.040331 6.994149 6.944683 6.891428 6.833757 6.77087 6.701729 6.624952 6.53864 6.440083 6.325225 6.187583 6.015824 5.78726 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.0851100000000002e-09 1.0124039e-09 9.673435e-10 9.346048e-10 9.088761000000001e-10 8.876785999999999e-10 8.696527e-10 8.539717e-10 8.400952e-10 8.276503e-10 8.163692e-10 8.060525999999999e-10 7.965485e-10 7.877383e-10 7.795275e-10 7.718397000000001e-10 7.646122e-10 7.577930000000001e-10 7.513385000000001e-10 7.452115e-10 7.393806e-10 7.338183e-10 7.28501e-10 7.23408e-10 7.199408e-10 7.162917e-10 7.124406e-10 7.083638e-10 7.040331000000001e-10 6.994149000000001e-10 6.944683000000001e-10 6.891428e-10 6.833757e-10 6.770870000000001e-10 6.701729000000001e-10 6.624952000000001e-10 6.53864e-10 6.440083e-10 6.325225e-10 6.187583e-10 6.015824e-10 5.78726e-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 0.0182484 0.330058 0.626261 0.828758 0.986921 1.12057 1.23729 1.34055 1.43234 1.51396 1.5864 1.65043 1.70672 1.75585 1.79832 1.83457 1.865 1.88996 1.90979 1.92477 1.93518 1.94126 1.94324 1.94229 1.93914 1.93332 1.92419 1.91098 1.89265 1.86787 1.83484 1.79113 1.73335 1.6567 1.55409 1.41472 1.22131 0.944479 0.540063 -0.0605335 -1.13104 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 2.9237159847006724e-21 5.2881121110800644e-20 1.0033807327188288e-19 1.3278166919009664e-19 1.5812217527765569e-19 1.7953510559698562e-19 1.9823571111496322e-19 2.14779786901344e-19 2.294861661036672e-19 2.425631316826368e-19 2.54169299123712e-19 2.6442803602669444e-19 2.7344668822517763e-19 2.81318181963168e-19 2.881226260717056e-19 2.9393051632210564e-19 2.9880593977920004e-19 3.0280497262471684e-19 3.059820888637632e-19 3.0838214944172164e-19 3.100500153039744e-19 3.110241386894208e-19 3.1134136966033925e-19 3.111891628813632e-19 3.106844772458112e-19 3.097520104525056e-19 3.082892231977152e-19 3.061727478816384e-19 3.03235958135712e-19 2.992657644693696e-19 2.939737750908672e-19 2.869706610813504e-19 2.77713284566368e-19 2.65432600767936e-19 2.489926664619072e-19 2.266631308978176e-19 1.9567543287492479e-19 1.5132221726365632e-19 8.652763123591104e-20 -9.69853584751968e-21 -1.8121258451896321e-19 ] } }