{ "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" [ 9.08604 8.477242 8.099933 7.825798 7.610361 7.432865 7.281927 7.150624 7.03443 6.930224 6.835762 6.749377 6.669796 6.596024 6.527272 6.462898 6.40238 6.34528 6.291233 6.23993 6.191105 6.144529 6.100006 6.05736 6.014247 5.969819 5.923994 5.876679 5.827775 5.777173 5.724749 5.670367 5.613875 5.555104 5.493862 5.42993 5.363063 5.292978 5.219349 5.1418 5.059887 4.973092 4.880795 4.782251 4.676553 4.562579 4.438924 4.303789 4.154821 3.988863 3.801533 3.586503 3.334135 3.02868 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.086040000000001e-10 8.477242e-10 8.099933e-10 7.825798e-10 7.610361000000001e-10 7.432864999999999e-10 7.281927e-10 7.150623999999999e-10 7.03443e-10 6.930224e-10 6.835762000000001e-10 6.749377e-10 6.669796e-10 6.596024e-10 6.527272e-10 6.462898e-10 6.40238e-10 6.34528e-10 6.291233e-10 6.239930000000001e-10 6.191105000000001e-10 6.144529000000001e-10 6.100005999999999e-10 6.05736e-10 6.014247e-10 5.969819e-10 5.923994000000001e-10 5.876679000000001e-10 5.827775000000001e-10 5.777173e-10 5.724749e-10 5.670367e-10 5.613875e-10 5.555104e-10 5.493862e-10 5.42993e-10 5.363063e-10 5.292977999999999e-10 5.219349000000001e-10 5.1418e-10 5.059887e-10 4.973092000000001e-10 4.880795e-10 4.782251e-10 4.676553000000001e-10 4.5625790000000004e-10 4.4389240000000005e-10 4.3037890000000003e-10 4.1548210000000005e-10 3.988863e-10 3.8015330000000004e-10 3.586503e-10 3.334135e-10 3.02868e-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" [ 0.627211 0.973601 1.25911 1.50347 1.71894 1.91087 2.07961 2.2299 2.36422 2.48431 2.59154 2.68707 2.77187 2.84686 2.91301 2.97101 3.02083 3.06265 3.09698 3.12433 3.1451 3.15959 3.16811 3.17089 3.16788 3.15808 3.14023 3.11277 3.07387 3.0213 2.95234 2.86369 2.75131 2.61019 2.43415 2.2155 1.94459 1.60863 1.19124 0.671523 0.0219114 -0.794148 -1.82617 -3.14492 -4.8479 -7.07548 -10.0353 -14.0424 -19.6064 -27.5618 -39.3826 -57.8378 -88.6822 -145.491 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0049028087877739e-19 1.559880773039034e-19 2.01731662163574e-19 2.40882450391998e-19 2.75404550324796e-19 3.06155126461158e-19 3.33190254983274e-19 3.5726936761566e-19 3.78789804163548e-19 3.980303433612539e-19 4.15210483407636e-19 4.3051607679223796e-19 4.44102534648558e-19 4.561172572269239e-19 4.66715655660834e-19 4.76008280138034e-19 4.83990324128622e-19 4.9069062681201e-19 4.961908991965319e-19 5.00572852290522e-19 5.0390057315934e-19 5.06222127102006e-19 5.07587181594174e-19 5.080325866984259e-19 5.075503315315919e-19 5.05980198430272e-19 5.03120313138582e-19 4.987207361016179e-19 4.924882689953579e-19 4.8406562643042e-19 4.73017016362356e-19 4.58813720501946e-19 4.40808459489054e-19 4.181985428300459e-19 3.8999382536510994e-19 3.5496223326269997e-19 3.11557666071006e-19 2.57730939875142e-19 1.90857689348616e-19 1.0758984597935819e-19 3.51059330982276e-21 -1.272365369537832e-19 -2.92584690371178e-19 -5.03871733979928e-19 -7.7671921039686e-19 -1.1336168730334319e-18 -1.6078323175180199e-18 -2.2498405165281598e-18 -3.14129159568576e-18 -4.41588719509812e-18 -6.309788150616839e-18 -9.26663717219652e-18 -1.420845486917148e-17 -2.33102280657294e-17 ] } }