{ "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" [ "W" "W" "W" "W" "W" "W" "W" "W" ] } "a" { "source-value" [ 9.01842 8.414153 8.039652 7.767557 7.553723 7.377549 7.227734 7.097407 6.982078 6.878648 6.784889 6.699147 6.620158 6.546936 6.478695 6.4148 6.354732 6.298057 6.244413 6.193491 6.14503 6.098801 6.054608 6.01228 5.969488 5.925391 5.879906 5.832944 5.784404 5.734178 5.682144 5.628167 5.572096 5.513762 5.452975 5.38952 5.32315 5.253587 5.180506 5.103533 5.02223 4.936081 4.844471 4.746661 4.641749 4.528624 4.405889 4.271759 4.1239 3.959177 3.773242 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.018420000000001e-10 8.414153000000001e-10 8.039652000000001e-10 7.767557e-10 7.553723e-10 7.377549000000001e-10 7.227734e-10 7.097407e-10 6.982077999999999e-10 6.878648e-10 6.784889e-10 6.699147000000001e-10 6.620158000000001e-10 6.546936e-10 6.478695e-10 6.414799999999999e-10 6.354732000000001e-10 6.298057e-10 6.244413e-10 6.193491e-10 6.14503e-10 6.098801e-10 6.054608e-10 6.01228e-10 5.969488e-10 5.925391e-10 5.879906e-10 5.832944e-10 5.784404e-10 5.734178e-10 5.682144e-10 5.628167e-10 5.572096000000001e-10 5.513762e-10 5.452975000000001e-10 5.38952e-10 5.32315e-10 5.253586999999999e-10 5.180506000000001e-10 5.103533e-10 5.022230000000001e-10 4.936081e-10 4.844471e-10 4.746661e-10 4.641749e-10 4.528624e-10 4.4058890000000004e-10 4.2717590000000006e-10 4.1239e-10 3.959177e-10 3.7732420000000004e-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" [ 0.0731042 0.500525 1.28617 2.07957 2.71103 3.18858 3.55406 3.84159 4.07461 4.26859 4.43349 4.57565 4.69918 4.80675 4.90022 4.9809 5.0498 5.10773 5.15535 5.19325 5.22196 5.24193 5.25362 5.25742 5.25332 5.24009 5.21612 5.17958 5.12833 5.05987 4.97136 4.85951 4.72066 4.55072 4.34533 4.10018 3.81149 3.47717 3.09386 2.65273 2.13675 1.5127 0.725233 -0.317084 -1.74741 -3.74418 -6.53993 -10.451 -16.0036 -24.255 -37.2549 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.1712584108726278e-20 8.019294597328499e-20 2.06067152135178e-19 3.3318384627673797e-19 4.34354892007302e-19 5.10866837163972e-19 5.69423188783404e-19 6.154905735408059e-19 6.528244934662739e-19 6.839035158126059e-19 7.103234085072659e-19 7.3309995153621e-19 7.52891639496012e-19 7.701262535479499e-19 7.851017985459479e-19 7.9802815962906e-19 8.0906715663732e-19 8.18348565878082e-19 8.2597813100919e-19 8.320503804520499e-19 8.36650229568264e-19 8.39849776306362e-19 8.417227207915079e-19 8.423315479124279e-19 8.4167465549248805e-19 8.39554975805706e-19 8.357145584140079e-19 8.298602049933719e-19 8.216490497441219e-19 8.106805485077579e-19 7.96499683120224e-19 7.78579337468934e-19 7.563331149058439e-19 7.29105725187648e-19 6.961986193019219e-19 6.569212591194119e-19 6.10668021872466e-19 5.57104052644578e-19 4.95691020086724e-19 4.25014202231082e-19 3.4234509226995e-19 2.4236125942517995e-19 1.1619513668057218e-19 -5.0802457581525596e-20 -2.7996594720179397e-19 -5.99883770949012e-19 -1.047812303399562e-18 -1.6744348001933999e-18 -2.5640593979882396e-18 -3.886079425767e-18 -5.96889302820066e-18 ] } }