{ "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" [ "Zn" "Zn" ] } "a" { "source-value" [ 4.69335 4.378878 4.183981 4.042378 3.931095 3.839411 3.761444 3.69362 3.633601 3.579774 3.53098 3.486358 3.445251 3.407145 3.371631 3.338379 3.307118 3.277624 3.249706 3.223206 3.197985 3.173927 3.150928 3.1289 3.113904 3.098121 3.081464 3.063831 3.0451 3.025125 3.00373 2.980696 2.955752 2.928552 2.898647 2.865439 2.828107 2.78548 2.735801 2.676268 2.601979 2.50312 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.69335e-10 4.3788780000000005e-10 4.1839810000000004e-10 4.042378e-10 3.931095e-10 3.839411e-10 3.761444e-10 3.69362e-10 3.633601e-10 3.5797740000000004e-10 3.5309800000000004e-10 3.486358e-10 3.445251e-10 3.407145e-10 3.371631e-10 3.338379e-10 3.307118e-10 3.277624e-10 3.2497060000000005e-10 3.223206e-10 3.197985e-10 3.173927e-10 3.150928e-10 3.1289e-10 3.1139039999999997e-10 3.098121e-10 3.081464e-10 3.063831e-10 3.0451e-10 3.025125e-10 3.00373e-10 2.980696e-10 2.955752e-10 2.928552e-10 2.898647e-10 2.865439e-10 2.8281070000000005e-10 2.78548e-10 2.735801e-10 2.676268e-10 2.601979e-10 2.50312e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.189845 0.283373 0.362685 0.43294 0.496442 0.554448 0.607732 0.656801 0.702013 0.743628 0.781842 0.816805 0.848635 0.877431 0.903271 0.92622 0.946334 0.963659 0.978238 0.990104 0.999289 1.00582 1.00972 1.01102 1.01038 1.00824 1.0042 0.997773 0.988274 0.974816 0.956196 0.930749 0.896135 0.848974 0.784248 0.694234 0.566537 0.380172 0.0970935 -0.358203 -1.15606 -2.76338 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.0416522057577607e-20 4.540135955659584e-20 5.81085427714848e-20 6.93646346209152e-20 7.953877659831937e-20 8.883236230493186e-20 9.736940021120257e-20 1.0523112067180608e-19 1.1247488160976705e-19 1.1914233961722625e-19 1.2526489735595138e-19 1.308665874752544e-19 1.359663156592608e-19 1.4057994345651649e-19 1.447199678446637e-19 1.4839680297173762e-19 1.5161942102681473e-19 1.5439519202235074e-19 1.5673100531781506e-19 1.5863214809605632e-19 1.6010374732226112e-19 1.611501288733056e-19 1.617749777554176e-19 1.6198326071612162e-19 1.6188072141239042e-19 1.6153785561553922e-19 1.60890576260736e-19 1.5986085734654785e-19 1.5833894977444993e-19 1.561827404781773e-19 1.531994876102477e-19 1.4912242876329794e-19 1.435766546080608e-19 1.3602062944670594e-19 1.2565038105091584e-19 1.1122854841644674e-19 9.076923362181696e-20 6.091026902827777e-20 1.555609357316448e-20 -5.739044721004224e-20 -1.8522123042420482e-19 -4.427422830386305e-19 ] } }