{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 9.05106 8.444606 8.068749 7.79567 7.581062 7.40425 7.253893 7.123095 7.007348 6.903543 6.809445 6.723393 6.644118 6.570631 6.502143 6.438017 6.377731 6.320851 6.267013 6.215907 6.16727 6.120874 6.076521 6.03404 6.00512 5.974682 5.94256 5.908554 5.872432 5.833911 5.79265 5.74823 5.700126 5.647671 5.59 5.525959 5.453965 5.371758 5.275953 5.161144 5.017878 4.82723 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.05106e-10 8.444606000000001e-10 8.068749e-10 7.795670000000001e-10 7.581062e-10 7.404250000000001e-10 7.253893e-10 7.123095e-10 7.007348000000001e-10 6.903543e-10 6.809445e-10 6.723393e-10 6.644118e-10 6.570631e-10 6.502143e-10 6.438017e-10 6.377731e-10 6.320851e-10 6.267013e-10 6.215906999999999e-10 6.167270000000001e-10 6.120874e-10 6.076521e-10 6.03404e-10 6.00512e-10 5.974682e-10 5.94256e-10 5.908553999999999e-10 5.872432e-10 5.833911e-10 5.792650000000001e-10 5.74823e-10 5.700126e-10 5.647671e-10 5.59e-10 5.525959000000001e-10 5.453965e-10 5.371758e-10 5.275953000000001e-10 5.161144e-10 5.017878e-10 4.82723e-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" [ 1.2919 1.49292 1.639 1.77935 1.90994 2.02417 2.12272 2.20963 2.28842 2.3605 2.42559 2.4824 2.53019 2.56981 2.60258 2.62972 2.65217 2.67058 2.68542 2.69707 2.7058 2.71185 2.71539 2.71655 2.71598 2.7141 2.71058 2.70495 2.69658 2.68458 2.6677 2.64421 2.61198 2.56871 2.51209 2.43926 2.34505 2.21669 2.02547 1.73859 1.29147 0.135918 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.0698519934645999e-19 2.39192154043128e-19 2.625967503126e-19 2.8508329937078996e-19 3.0600612403419596e-19 3.2430778772437793e-19 3.40097238452448e-19 3.54021755578542e-19 3.6664530527782797e-19 3.7819379445569997e-19 3.88622362166406e-19 3.9772432762416e-19 4.05381129758046e-19 4.11728953581954e-19 4.16979286411572e-19 4.2132759379624797e-19 4.2492448033957796e-19 4.27874087522772e-19 4.30251717647628e-19 4.32118253426238e-19 4.3351695362772e-19 4.3448627049129e-19 4.35053441019726e-19 4.352392935092699e-19 4.35147969441132e-19 4.3484676023394e-19 4.34282794058772e-19 4.3338076861383e-19 4.32039746771172e-19 4.3011713481037195e-19 4.2741266065217994e-19 4.23649147738914e-19 4.18485332447532e-19 4.115527141522139e-19 4.02481190050506e-19 3.90812537625084e-19 3.7571843155616997e-19 3.5515289228214596e-19 3.2451607068679794e-19 2.78552827410606e-19 2.0691630575119797e-19 2.1776464374001202e-20 ] } }