{ "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" [ "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" ] } "a" { "source-value" [ 8.64763 8.068207 7.709105 7.448197 7.243156 7.074224 6.930569 6.805601 6.695014 6.595836 6.505933 6.423716 6.347975 6.277763 6.212328 6.15106 6.093462 6.039117 5.987678 5.938851 5.892381 5.848053 5.805678 5.76509 5.724057 5.681773 5.638158 5.593127 5.546583 5.498421 5.448527 5.396769 5.343003 5.287067 5.22878 5.167933 5.104292 5.037589 4.967512 4.893704 4.815744 4.733137 4.645293 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.647629999999999e-10 8.068206999999999e-10 7.709105e-10 7.448197e-10 7.243156e-10 7.074224000000001e-10 6.930569e-10 6.805601e-10 6.695013999999999e-10 6.595836e-10 6.505933e-10 6.423716e-10 6.347975e-10 6.277763e-10 6.212328000000001e-10 6.15106e-10 6.093462e-10 6.039117000000001e-10 5.987678e-10 5.938851e-10 5.892381e-10 5.848053e-10 5.805678e-10 5.76509e-10 5.724057000000001e-10 5.681773e-10 5.638158e-10 5.593127e-10 5.546583e-10 5.498421e-10 5.448527000000001e-10 5.396769e-10 5.343003000000001e-10 5.287067e-10 5.22878e-10 5.167932999999999e-10 5.104292e-10 5.037589e-10 4.967512e-10 4.893704e-10 4.815744e-10 4.733137e-10 4.645293e-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" [ 0.955749 1.43885 1.82662 2.15115 2.42817 2.66781 2.87716 3.06129 3.224 3.36817 3.49596 3.60911 3.70902 3.79684 3.87354 3.93992 3.99667 4.04438 4.0836 4.11481 4.13847 4.15497 4.16466 4.16783 4.1644 4.15325 4.13291 4.10162 4.05728 3.99734 3.91872 3.81768 3.68971 3.52934 3.32988 3.08302 2.77826 2.40223 1.93781 1.36279 0.647869 -0.246717 -1.37603 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.5312787157688659e-19 2.3052918498309e-19 2.9265678831970797e-19 3.4465222662290994e-19 3.89035723737978e-19 4.274302845951539e-19 4.609718524279439e-19 4.90472730789786e-19 5.165417468016e-19 5.39640327333978e-19 5.60114542539864e-19 5.782431711535739e-19 5.94250517903868e-19 6.08320833103656e-19 6.20609527886436e-19 6.312447763829279e-19 6.40337128780878e-19 6.47981113501692e-19 6.542648502602399e-19 6.5926524353495405e-19 6.63055993450998e-19 6.656995848970979e-19 6.672520940554439e-19 6.67759984048422e-19 6.672104374629599e-19 6.654240105160499e-19 6.621651832424939e-19 6.571519725547079e-19 6.50047921359552e-19 6.40444474615356e-19 6.2784816191884795e-19 6.11659769208912e-19 5.911567148236139e-19 5.654626081441559e-19 5.33505593002392e-19 4.93954260615468e-19 4.45126325517684e-19 3.8487967754938194e-19 3.10471390313154e-19 2.18343029504886e-19 1.038000573692946e-19 -3.9528421261057797e-20 -2.20464311368302e-19 ] } }