{ "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.19652 7.647324 7.306954 7.059657 6.865311 6.705192 6.569031 6.450582 6.345764 6.25176 6.166546 6.088618 6.016828 5.950279 5.888257 5.830186 5.775592 5.724082 5.675327 5.629046 5.585001 5.542986 5.502821 5.46435 5.43816 5.410596 5.381507 5.350712 5.318 5.283116 5.245751 5.205524 5.161962 5.11446 5.062234 5.004239 4.939042 4.864596 4.777837 4.673868 4.544128 4.37148 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.19652e-10 7.647324e-10 7.306954000000001e-10 7.059657e-10 6.865311e-10 6.705192e-10 6.569031e-10 6.450582e-10 6.345764e-10 6.25176e-10 6.166546000000001e-10 6.088618000000001e-10 6.016828000000001e-10 5.950279e-10 5.888257000000001e-10 5.830186000000001e-10 5.775592e-10 5.724082e-10 5.675327e-10 5.629046e-10 5.585001e-10 5.542986e-10 5.502821e-10 5.46435e-10 5.438160000000001e-10 5.410596e-10 5.381507000000001e-10 5.350712e-10 5.318e-10 5.283116e-10 5.245751000000001e-10 5.205524e-10 5.161962e-10 5.11446e-10 5.062234e-10 5.004239e-10 4.939042e-10 4.864596e-10 4.777837e-10 4.673868e-10 4.544128e-10 4.37148e-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" [ -0.129641 0.201412 0.487294 0.736599 0.959312 1.15981 1.34456 1.50565 1.64045 1.75071 1.84015 1.91308 1.97364 2.02522 2.07021 2.10988 2.14469 2.1754 2.20203 2.22421 2.24162 2.25408 2.26153 2.264 2.26279 2.25877 2.25128 2.23947 2.22232 2.19857 2.16674 2.12511 2.07187 2.00529 1.92404 1.8277 1.71712 1.59377 1.45303 1.25162 0.634697 -2.53545 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -2.0770777929713283e-20 3.226975975485696e-20 7.807310542561152e-20 1.1801616967046594e-19 1.5369872584528897e-19 1.858220466570048e-19 2.1542225972628482e-19 2.4123172291075203e-19 2.62829063759136e-19 2.8049466318007683e-19 2.94824530876512e-19 3.065092049720064e-19 3.1621198658757125e-19 3.2447601359765763e-19 3.316842062146368e-19 3.3804004086935043e-19 3.4361721768635527e-19 3.48537502088832e-19 3.5280409843002246e-19 3.563577261749568e-19 3.5914711567176967e-19 3.611434277412864e-19 3.6233704932378245e-19 3.6273278694912e-19 3.625389235780032e-19 3.6189484857644163e-19 3.606948182874624e-19 3.5880264769829758e-19 3.560549147936256e-19 3.5224974531922566e-19 3.471500171352192e-19 3.404801558628288e-19 3.3195016753368965e-19 3.212828755924032e-19 3.082651905484032e-19 2.9282982098361604e-19 2.751129519108096e-19 2.553501032932416e-19 2.328010695321024e-19 2.005316302125696e-19 1.0168966946918976e-19 -4.0622387132073603e-19 ] } }