{ "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" [ "Mn" "Mn" "Mn" "Mn" ] } "a" { "source-value" [ 5.52961 5.159106 4.929483 4.762649 4.631538 4.523518 4.431659 4.351751 4.281037 4.217619 4.160132 4.107559 4.059127 4.014231 3.97239 3.933213 3.896383 3.861633 3.828741 3.797519 3.767805 3.73946 3.712363 3.68641 3.668742 3.650146 3.630522 3.609747 3.587678 3.564144 3.538937 3.511799 3.482411 3.450364 3.415131 3.376007 3.332023 3.2818 3.22327 3.153129 3.065603 2.94913 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.52961e-10 5.159106e-10 4.929483e-10 4.762649e-10 4.631538e-10 4.5235180000000005e-10 4.431659e-10 4.3517510000000003e-10 4.2810370000000004e-10 4.2176190000000004e-10 4.1601320000000003e-10 4.107559e-10 4.0591270000000003e-10 4.014231e-10 3.97239e-10 3.933213e-10 3.8963830000000004e-10 3.861633e-10 3.828741e-10 3.797519e-10 3.767805e-10 3.73946e-10 3.712363e-10 3.68641e-10 3.668742e-10 3.650146e-10 3.6305220000000003e-10 3.609747e-10 3.587678e-10 3.564144e-10 3.5389370000000005e-10 3.511799e-10 3.482411e-10 3.450364e-10 3.4151310000000005e-10 3.376007e-10 3.332023e-10 3.2818e-10 3.22327e-10 3.153129e-10 3.065603e-10 2.94913e-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" [ 0 0 1.23394 1.45893 1.653 1.82264 1.97213 2.1045 2.22205 2.32652 2.41931 2.50157 2.57424 2.63812 2.69388 2.74212 2.78334 2.81799 2.84647 2.86913 2.8863 2.89825 2.90525 2.90754 2.90643 2.90278 2.89601 2.88538 2.87027 2.84976 2.82107 2.78211 2.73018 2.66114 2.56893 2.44457 2.27417 2.03521 1.68888 1.16239 0.302594 -1.27498 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 1.97698983575796e-19 2.33746355664162e-19 2.648397976002e-19 2.92019122019376e-19 3.1597006052104195e-19 3.3717807262529997e-19 3.5601165895796994e-19 3.7274959825336795e-19 3.8761619524025395e-19 4.00795700231538e-19 4.12438717830816e-19 4.2267342216880795e-19 4.31607159079992e-19 4.39336059162408e-19 4.45940231247756e-19 4.51491773284566e-19 4.56054772338198e-19 4.59685304590842e-19 4.624362418714199e-19 4.6435084294905e-19 4.6547236659285e-19 4.65839265042036e-19 4.656614234356619e-19 4.650766289642519e-19 4.639919553830339e-19 4.62288841621092e-19 4.59867952727118e-19 4.565818884507839e-19 4.51985243687838e-19 4.45743163521774e-19 4.37423060261412e-19 4.26361632780276e-19 4.1158796203816196e-19 3.91663293417738e-19 3.6436220357437796e-19 3.26076590728314e-19 2.70588407362992e-19 1.86235409759526e-19 4.848090363885959e-20 -2.0427431648173198e-19 ] } }