{ "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" [ "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" ] } "a" { "source-value" [ 12.6754 11.826096 11.299731 10.917299 10.616754 10.369139 10.158572 9.975397 9.813301 9.667929 9.53615 9.415639 9.304619 9.201704 9.10579 9.015986 8.93156 8.851903 8.776505 8.704934 8.636821 8.571846 8.509733 8.45024 8.409739 8.367114 8.322128 8.274506 8.223919 8.169974 8.112191 8.049984 7.982617 7.909158 7.828394 7.73871 7.637887 7.522761 7.388594 7.227813 7.027179 6.76019 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.26754e-09 1.1826096e-09 1.1299731e-09 1.0917299e-09 1.0616754e-09 1.0369139e-09 1.0158572e-09 9.975397e-10 9.813301e-10 9.667929e-10 9.53615e-10 9.415639e-10 9.304619000000001e-10 9.201704e-10 9.105790000000001e-10 9.015986e-10 8.931559999999999e-10 8.851903e-10 8.776505e-10 8.704934e-10 8.636821e-10 8.571846000000002e-10 8.509733000000001e-10 8.450240000000001e-10 8.409739e-10 8.367114000000001e-10 8.322127999999999e-10 8.274506000000001e-10 8.223919000000001e-10 8.169974e-10 8.112190999999999e-10 8.049984e-10 7.982617e-10 7.909158e-10 7.828394000000001e-10 7.73871e-10 7.637887e-10 7.522761e-10 7.388594000000001e-10 7.227813000000001e-10 7.027179000000001e-10 6.76019e-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" [ 0.260726 0.390814 0.505146 0.609934 0.707882 0.799635 0.886192 0.967556 1.04398 1.11563 1.18265 1.24518 1.30304 1.35622 1.40487 1.44891 1.48809 1.52233 1.55154 1.57563 1.5945 1.60803 1.61636 1.61918 1.61776 1.61299 1.60391 1.58926 1.56742 1.53605 1.49191 1.4305 1.34529 1.22658 1.05949 0.820415 0.469521 -0.0635238 -0.91428 -2.37216 -5.15069 -11.4784 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.177291016347008e-20 6.261530538813313e-20 8.093331112906369e-20 9.772219950310272e-20 1.1341519906851456e-19 1.281156502173408e-19 1.4198361039399935e-19 1.5501956025147648e-19 1.6726403485827838e-19 1.787436303463104e-19 1.89481418058912e-19 1.994998284687744e-19 2.087700223967232e-19 2.172903976661376e-19 2.250849869263296e-19 2.321409727643328e-19 2.384183007646272e-19 2.439041535142464e-19 2.485841114236032e-19 2.5244375490311043e-19 2.5546706218656e-19 2.576348071545024e-19 2.5896942027962883e-19 2.594212340866944e-19 2.5919372500654084e-19 2.584294867584192e-19 2.5697471038673283e-19 2.546275216372608e-19 2.511283678974336e-19 2.46102339837984e-19 2.390303322337728e-19 2.2919136560544005e-19 2.1553921861960322e-19 1.9651977995408642e-19 1.6974901079713922e-19 1.314449732353632e-19 7.522555691746368e-20 -1.0177634722437506e-20 -1.4648380408650241e-19 -3.8006192927969285e-19 -8.252315098988353e-19 -1.8390424124190723e-18 ] } }