{ "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 10.124041 9.673439 9.346052 9.088766 8.876791 8.696533 8.539723 8.400958 8.27651 8.163699 8.060534 7.965493 7.877392 7.795284 7.718405 7.646131 7.577939 7.513394 7.452125 7.393815 7.338192 7.28502 7.23409 7.199418 7.162927 7.124416 7.083648 7.040341 6.994159 6.944693 6.891438 6.833767 6.77088 6.701739 6.624962 6.53865 6.440093 6.325235 6.187593 6.015834 5.78727 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.0851100000000002e-09 1.0124041e-09 9.673439e-10 9.346052e-10 9.088766e-10 8.876791000000001e-10 8.696533000000001e-10 8.539723000000001e-10 8.400957999999999e-10 8.27651e-10 8.163699e-10 8.060534000000001e-10 7.965493000000001e-10 7.877392000000001e-10 7.795284e-10 7.718405e-10 7.646131e-10 7.577939e-10 7.513394e-10 7.452125e-10 7.393815e-10 7.338192e-10 7.28502e-10 7.234090000000001e-10 7.199418e-10 7.162927e-10 7.124416000000001e-10 7.083648e-10 7.040341e-10 6.994159e-10 6.944693000000001e-10 6.891438e-10 6.833767000000001e-10 6.770880000000001e-10 6.701739e-10 6.624962000000001e-10 6.53865e-10 6.440093e-10 6.325235000000001e-10 6.187593e-10 6.015834000000001e-10 5.787270000000001e-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 0.0182479 0.330054 0.626257 0.828754 0.986917 1.12057 1.23728 1.34055 1.43234 1.51396 1.58639 1.65042 1.70672 1.75585 1.79832 1.83457 1.86499 1.88996 1.90979 1.92477 1.93518 1.94126 1.94324 1.94229 1.93914 1.93332 1.9242 1.91098 1.89266 1.86788 1.83485 1.79114 1.73336 1.65671 1.55411 1.41474 1.22133 0.944508 0.540098 -0.0604912 -1.13098 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 2.9236358758696324e-21 5.2880480240152324e-20 1.0033743240123456e-19 1.3278102831944832e-19 1.5812153440700737e-19 1.7953510559698562e-19 1.982341089383424e-19 2.14779786901344e-19 2.294861661036672e-19 2.425631316826368e-19 2.541676969470912e-19 2.6442643385007364e-19 2.7344668822517763e-19 2.81318181963168e-19 2.881226260717056e-19 2.9393051632210564e-19 2.988043376025792e-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 3.08290825374336e-19 3.061727478816384e-19 3.032375603123328e-19 2.992673666459904e-19 2.9397537726748805e-19 2.869722632579712e-19 2.777148867429888e-19 2.654342029445568e-19 2.489958708151488e-19 2.2666633525105925e-19 1.956786372281664e-19 1.5132686357585664e-19 8.653323885408385e-20 -9.691758640413697e-21 -1.8120297145923843e-19 ] } }