{ "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 8.58195 8.006928 7.650552 7.391626 7.188141 7.020493 6.877929 6.75391 6.644162 6.545738 6.456517 6.374924 6.299758 6.23008 6.165141 6.104339 6.047178 5.993246 5.942198 5.893741 5.847625 5.803633 5.76158 5.7213 5.680579 5.638616 5.595333 5.550643 5.504453 5.456657 5.407142 5.355777 5.30242 5.246909 5.189064 5.12868 5.065523 4.999326 4.929782 4.856534 4.779167 4.697187 4.61001 4.516934 4.417099 4.309449 4.192655 4.065016 3.924313 3.767562 3.590626 3.387525 3.149159 2.86065 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.581950000000002e-10 8.006928e-10 7.650552000000001e-10 7.391626e-10 7.188141e-10 7.020493000000001e-10 6.877929000000001e-10 6.753910000000001e-10 6.644162e-10 6.545738e-10 6.456517e-10 6.374924e-10 6.299758e-10 6.23008e-10 6.165141e-10 6.104339e-10 6.047178e-10 5.993246000000001e-10 5.942198000000001e-10 5.893741000000001e-10 5.847625e-10 5.803633e-10 5.761580000000001e-10 5.721300000000001e-10 5.680579e-10 5.638616e-10 5.595333e-10 5.550643e-10 5.504453e-10 5.456657e-10 5.407142000000001e-10 5.355777e-10 5.30242e-10 5.246909e-10 5.189064e-10 5.12868e-10 5.065523e-10 4.999326000000001e-10 4.929782e-10 4.856534e-10 4.779167e-10 4.697187e-10 4.61001e-10 4.516934e-10 4.4170990000000004e-10 4.309449e-10 4.1926550000000006e-10 4.0650160000000004e-10 3.924313e-10 3.767562e-10 3.590626e-10 3.387525e-10 3.149159e-10 2.8606500000000004e-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" [ 0.894947 1.40413 1.66718 1.87282 2.03102 2.15283 2.24977 2.32989 2.39819 2.45795 2.51143 2.55981 2.60289 2.64064 2.67323 2.70095 2.72414 2.74318 2.75842 2.77023 2.77893 2.78483 2.78824 2.78935 2.78815 2.78429 2.77741 2.76835 2.76032 2.75851 2.76774 2.78758 2.80937 2.82027 2.81059 2.77732 2.7221 2.64774 2.55695 2.45155 2.33345 2.20758 2.10653 2.04005 1.90745 1.63406 1.21318 0.648284 -0.13081 -1.33252 -3.6998 -9.23966 -24.3065 -54.6376 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.433863172068398e-19 2.24966427709842e-19 2.67111684067212e-19 3.0005884436878796e-19 3.2540527871866793e-19 3.4492139229742192e-19 3.6045289258741793e-19 3.732895317790259e-19 3.84232398189246e-19 3.9380700575402995e-19 4.0237544639266193e-19 4.10126776947954e-19 4.1702895388722594e-19 4.2307717068057593e-19 4.28298664330782e-19 4.3273989796023e-19 4.364553455744759e-19 4.39505889885612e-19 4.41947607075828e-19 4.43839777680582e-19 4.45233671352162e-19 4.461789555662219e-19 4.46725297798416e-19 4.4690313940479e-19 4.467108782087099e-19 4.46092438027986e-19 4.44990140503794e-19 4.435385684733899e-19 4.42252020636288e-19 4.419620266655339e-19 4.43440835698716e-19 4.46619554140572e-19 4.50110697026058e-19 4.518570695571179e-19 4.503061625754059e-19 4.449757209140879e-19 4.3612850154114e-19 4.24214716090716e-19 4.0966855443062996e-19 3.9278161270826997e-19 3.7385990666073e-19 3.53693309368572e-19 3.3750331448200196e-19 3.2685204421916996e-19 3.0560718205233e-19 2.61805275055404e-19 1.9437286488361198e-19 1.0386654769960559e-19 -2.0958072549354e-20 -2.1349324083376798e-19 -5.9277331104732e-19 -1.480356735810444e-18 -3.8943306354321e-18 -8.75390860578384e-18 ] } }