{ "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" [ "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "a" { "source-value" [ 9.12189 8.51069 8.131892 7.856676 7.640389 7.462193 7.310659 7.178837 7.062185 6.957568 6.862734 6.776008 6.696112 6.62205 6.553026 6.488398 6.427641 6.370316 6.316056 6.26455 6.215533 6.168773 6.124074 6.08126 6.052113 6.021438 5.989064 5.954793 5.918388 5.879565 5.837982 5.793214 5.744734 5.691869 5.633747 5.569205 5.496647 5.413797 5.317243 5.201536 5.05715 4.86501 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.121890000000001e-10 8.51069e-10 8.131892000000001e-10 7.856676000000001e-10 7.640389e-10 7.462193e-10 7.310659000000001e-10 7.178836999999999e-10 7.062185000000001e-10 6.957568e-10 6.862734e-10 6.776008000000001e-10 6.696112000000001e-10 6.62205e-10 6.553026e-10 6.488398e-10 6.427641e-10 6.370316e-10 6.316056e-10 6.26455e-10 6.215533e-10 6.168773e-10 6.124074000000001e-10 6.08126e-10 6.052113e-10 6.021438e-10 5.989064e-10 5.954793e-10 5.918388e-10 5.879565e-10 5.837982e-10 5.793214000000001e-10 5.744734e-10 5.691869e-10 5.633746999999999e-10 5.569205e-10 5.496647000000001e-10 5.413797e-10 5.317243e-10 5.201536e-10 5.05715e-10 4.86501e-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" [ 0.551567 0.972741 1.25419 1.47412 1.66958 1.84561 2.00246 2.14096 2.26254 2.3678 2.45428 2.52076 2.56735 2.59505 2.6095 2.61861 2.62793 2.63937 2.65146 2.6629 2.67275 2.68032 2.68511 2.68676 2.68591 2.68303 2.67745 2.66812 2.65358 2.63192 2.60055 2.55594 2.4932 2.40572 2.28502 2.12572 1.92557 1.68098 1.37043 0.948921 0.322686 -0.743569 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.837077522047937e-20 1.5585028882936128e-19 2.009433896041152e-19 2.3618006002536963e-19 2.6749620425552644e-19 2.9569931931146883e-19 3.2082945960871683e-19 3.4301960580679686e-19 3.6249886916248324e-19 3.79363380273024e-19 3.932190036897024e-19 4.0387027386478083e-19 4.11334814741088e-19 4.15772843980704e-19 4.1808798919776006e-19 4.195475720993088e-19 4.2104080070989443e-19 4.2287369076408963e-19 4.2481072229863687e-19 4.2664361235283202e-19 4.2822175632432006e-19 4.2943460402626565e-19 4.302020466276288e-19 4.3046640577006083e-19 4.303302207572928e-19 4.298687938905024e-19 4.28974779336096e-19 4.2747994854888965e-19 4.251503837422464e-19 4.2168006918159365e-19 4.1665404112214406e-19 4.0950673121675524e-19 3.99454675097856e-19 3.8543883401909764e-19 3.661005622060416e-19 3.405778886366976e-19 3.085103235713856e-19 2.693226856032384e-19 2.1956709064429444e-19 1.520339041186157e-19 5.1699996505946876e-20 -1.1913288677516352e-19 ] } }