{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Si" "Si" ] } "a" { "source-value" [ 4.70321 4.388077 4.19277 4.050869 3.939352 3.847475 3.769344 3.701378 3.641232 3.587292 3.538395 3.49368 3.452486 3.4143 3.378711 3.345389 3.314063 3.284506 3.25653 3.229974 3.204701 3.180592 3.157545 3.13547 3.120442 3.104626 3.087934 3.070264 3.051494 3.031478 3.010037 2.986956 2.961959 2.934703 2.904735 2.871458 2.834048 2.791331 2.741548 2.681891 2.607446 2.50838 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.703210000000001e-10 4.388077e-10 4.1927700000000005e-10 4.050869e-10 3.939352e-10 3.847475e-10 3.769344e-10 3.701378e-10 3.641232e-10 3.587292e-10 3.538395e-10 3.49368e-10 3.452486e-10 3.4143e-10 3.3787110000000003e-10 3.3453890000000003e-10 3.314063e-10 3.284506e-10 3.2565300000000003e-10 3.229974e-10 3.204701e-10 3.180592e-10 3.157545e-10 3.1354700000000004e-10 3.1204420000000004e-10 3.1046260000000003e-10 3.087934e-10 3.070264e-10 3.051494e-10 3.031478e-10 3.0100370000000004e-10 2.986956e-10 2.961959e-10 2.934703e-10 2.904735e-10 2.8714580000000004e-10 2.834048e-10 2.791331e-10 2.741548e-10 2.681891e-10 2.607446e-10 2.5083799999999997e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.0557467 0.0711583 0.0745552 0.138474 0.419371 0.941516 1.50129 2.01147 2.44698 2.80338 3.07827 3.27758 3.4194 3.50703 3.55241 3.57924 3.60576 3.63729 3.67666 3.72252 3.7686 3.79863 3.82075 3.88923 3.76088 3.47538 3.15588 2.79716 2.39296 1.93616 1.41934 0.833832 0.168525 -0.589838 -1.45764 -2.45471 -3.60437 -4.93522 -6.49105 -8.35664 -10.7148 -14.0811 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.93160601626078e-21 1.1400816557516218e-20 1.1945059938319679e-20 2.2185980721651602e-20 6.71906417177214e-20 1.508474935737144e-19 2.40533175885786e-19 3.22273023399198e-19 3.9204941798653197e-19 4.49150993222292e-19 4.931932267143179e-19 5.251262092065719e-19 5.4784827822996e-19 5.618881520737019e-19 5.69158829638794e-19 5.73457469547816e-19 5.777064419811839e-19 5.82758104908186e-19 5.890658743162439e-19 5.964134563597679e-19 6.0379628628923995e-19 6.08607622721142e-19 6.121516374355499e-19 6.231233430251819e-19 6.025594059277919e-19 5.56817263027092e-19 5.056277195707919e-19 4.481544393559439e-19 3.83394459809664e-19 3.10207031168544e-19 2.27403338370156e-19 1.3359461470814879e-19 2.7000681724484998e-20 -9.450246614452919e-20 -2.33539674878376e-19 -3.93287900524614e-19 -5.774837394290579e-19 -7.9070941676494795e-19 -1.03998086401257e-18 -1.338881334674976e-18 -1.71670021979832e-18 -2.2560409401017396e-18 ] } }