{ "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" [ 8.65803 8.07791 7.718375 7.457153 7.251865 7.08273 6.938902 6.813784 6.703063 6.603766 6.513755 6.431439 6.355606 6.28531 6.219796 6.158455 6.100787 6.046377 5.994876 5.94599 5.899465 5.855083 5.812657 5.77202 5.744356 5.71524 5.684512 5.651984 5.61743 5.580582 5.541113 5.498622 5.452607 5.402431 5.347264 5.286004 5.217137 5.1385 5.046856 4.937033 4.799989 4.61762 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.658030000000001e-10 8.07791e-10 7.718375e-10 7.457153e-10 7.251865e-10 7.08273e-10 6.938902e-10 6.813784e-10 6.703063000000001e-10 6.603766e-10 6.513755e-10 6.431439e-10 6.355606e-10 6.28531e-10 6.219796e-10 6.158455e-10 6.100787e-10 6.046377e-10 5.994876e-10 5.94599e-10 5.899465e-10 5.855083e-10 5.812657e-10 5.77202e-10 5.744356e-10 5.715239999999999e-10 5.684512e-10 5.651984e-10 5.61743e-10 5.580582e-10 5.541113000000001e-10 5.498622000000001e-10 5.452607000000001e-10 5.402431e-10 5.347264000000001e-10 5.286004e-10 5.217137e-10 5.138499999999999e-10 5.046856e-10 4.937033e-10 4.799989000000001e-10 4.61762e-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" [ 0.764982 1.00293 1.18256 1.35793 1.51442 1.65253 1.77488 1.8836 1.98034 2.07022 2.15609 2.23654 2.31085 2.37876 2.44018 2.4952 2.54391 2.58647 2.62305 2.65382 2.67896 2.6977 2.70846 2.71189 2.71024 2.70486 2.69502 2.67972 2.65774 2.62748 2.58688 2.53376 2.46454 2.37404 2.25482 2.09596 1.88082 1.58295 1.15907 0.528795 -0.470886 -2.20736 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.2256362757328259e-19 1.6068709982989441e-19 1.8946699846932482e-19 2.1756436986829443e-19 2.426368318071936e-19 2.6476449311706243e-19 2.843671240725504e-19 3.01785988293888e-19 3.172854449235072e-19 3.3168580839125763e-19 3.454436990340672e-19 3.5833320994840324e-19 3.70238984417568e-19 3.8111936584942084e-19 3.909599346543744e-19 3.9977511042201605e-19 4.075793127419328e-19 4.143981764400576e-19 4.2025893851894406e-19 4.251888359811456e-19 4.2921670800583684e-19 4.3221918699321606e-19 4.339431290371968e-19 4.344926756181312e-19 4.342283164756992e-19 4.3336634545370883e-19 4.317898036588416e-19 4.293384734290176e-19 4.2581688921649925e-19 4.209687027619584e-19 4.144638656815104e-19 4.059531034718208e-19 3.948628369026432e-19 3.8036313848440323e-19 3.6126198881122565e-19 3.3580981101319677e-19 3.013405831933056e-19 2.5361654818953605e-19 1.8570348558706563e-19 8.47222986195936e-20 -7.544425402620288e-20 -3.536580585689088e-19 ] } }