{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 5.45786 5.092163 4.865518 4.700848 4.571438 4.464819 4.374152 4.29528 4.225483 4.162888 4.106146 4.054256 4.006453 3.962139 3.92084 3.882172 3.845819 3.81152 3.779055 3.748238 3.718909 3.690932 3.664187 3.63857 3.621131 3.602777 3.583407 3.562902 3.54112 3.517892 3.493011 3.466226 3.437219 3.405588 3.370813 3.332196 3.288783 3.239212 3.181441 3.112211 3.025821 2.91086 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.45786e-10 5.092163000000001e-10 4.865518e-10 4.700848e-10 4.571438e-10 4.4648190000000003e-10 4.374152e-10 4.29528e-10 4.225483e-10 4.162888e-10 4.106146e-10 4.0542559999999996e-10 4.0064529999999996e-10 3.962139e-10 3.9208400000000004e-10 3.882172e-10 3.845819e-10 3.81152e-10 3.779055e-10 3.7482380000000003e-10 3.718909e-10 3.690932e-10 3.664187e-10 3.63857e-10 3.621131e-10 3.602777e-10 3.583407e-10 3.562902e-10 3.54112e-10 3.517892e-10 3.493011e-10 3.466226e-10 3.437219e-10 3.405588e-10 3.3708130000000004e-10 3.3321960000000004e-10 3.2887830000000003e-10 3.239212e-10 3.181441e-10 3.112211e-10 3.025821e-10 2.91086e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.15562 1.45687 1.71958 1.94985 2.14768 2.31422 2.45465 2.57501 2.68022 2.77364 2.85744 2.93314 3.00226 3.0667 3.12852 3.18801 3.24339 3.29217 3.33213 3.36243 3.38354 3.39693 3.4043 3.40666 3.40553 3.40185 3.39513 3.38474 3.3699 3.34955 3.3223 3.28627 3.23893 3.17684 3.09535 2.98805 2.84559 2.65335 2.38544 1.98312 1.2478 -0.800613 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.8515073465288963e-19 2.334163053544896e-19 2.7550708735952645e-19 3.1240040840668805e-19 3.440962684959744e-19 3.7077891793877763e-19 3.93278284224672e-19 4.125620820326208e-19 4.294185822600576e-19 4.443861162515712e-19 4.578123563338752e-19 4.699408333533312e-19 4.810150781563009e-19 4.91339504300736e-19 5.012441601705216e-19 5.107755088876608e-19 5.196483630136512e-19 5.274637805699136e-19 5.338660783466304e-19 5.387206735076544e-19 5.421028683541632e-19 5.442481828494144e-19 5.454289870189441e-19 5.458071007014529e-19 5.456260547433024e-19 5.45036453746848e-19 5.4395979105767045e-19 5.422951295486592e-19 5.39917499443392e-19 5.36657070020064e-19 5.32291138728384e-19 5.265184963636416e-19 5.189337922407744e-19 5.089858776022272e-19 4.95929740319328e-19 4.78738385178144e-19 4.559137770382272e-19 4.2511353367996805e-19 3.8218961983211524e-19 3.177308500240896e-19 1.99919598743424e-19 -1.2827234309085504e-19 ] } }