{ "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" [ "Mg" "Mg" ] } "a" { "source-value" [ 5.3688 5.009071 4.786125 4.624143 4.496844 4.391965 4.302778 4.225193 4.156535 4.094962 4.039146 3.988102 3.941079 3.897488 3.856864 3.818826 3.783067 3.749327 3.717392 3.687078 3.658228 3.630707 3.604399 3.5792 3.562045 3.543991 3.524937 3.504766 3.483339 3.46049 3.436015 3.409667 3.381133 3.350019 3.31581 3.277823 3.235118 3.186356 3.129528 3.061427 2.976446 2.86336 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.3688e-10 5.009071e-10 4.786125e-10 4.6241430000000004e-10 4.4968440000000005e-10 4.391965e-10 4.302778e-10 4.225193e-10 4.156535e-10 4.094962e-10 4.0391459999999997e-10 3.988102e-10 3.9410790000000005e-10 3.897488e-10 3.856864e-10 3.8188260000000003e-10 3.783067e-10 3.749327e-10 3.717392e-10 3.6870780000000003e-10 3.658228e-10 3.6307070000000004e-10 3.604399e-10 3.5792000000000004e-10 3.562045e-10 3.543991e-10 3.5249370000000003e-10 3.504766e-10 3.4833390000000003e-10 3.46049e-10 3.436015e-10 3.409667e-10 3.3811330000000005e-10 3.350019e-10 3.31581e-10 3.2778230000000004e-10 3.235118e-10 3.186356e-10 3.129528e-10 3.061427e-10 2.9764460000000004e-10 2.8633600000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.346143 0.496196 0.665943 0.775311 0.869389 0.951416 1.02353 1.08725 1.14372 1.19382 1.23825 1.27758 1.31227 1.34273 1.36929 1.39225 1.41184 1.4283 1.44181 1.45256 1.4607 1.46636 1.46967 1.47075 1.47023 1.4685 1.46531 1.46029 1.453 1.44287 1.42913 1.41074 1.38632 1.35389 1.31062 1.25235 1.17259 1.06091 0.89927 0.653949 0.254039 -0.47945 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.545822220535744e-20 7.949936305344769e-20 1.0669583053854144e-19 1.242185158049069e-19 1.3929147301806912e-19 1.5243364718550529e-19 1.6398758366874243e-19 1.7419665309648002e-19 1.8324414447413762e-19 1.9127104934434562e-19 1.9838952007056003e-19 2.046908807201664e-19 2.1024883141772161e-19 2.151290614046784e-19 2.193844425095232e-19 2.2306304003088e-19 2.262017040310272e-19 2.28838886748864e-19 2.310034273635648e-19 2.3272576723092483e-19 2.3402993900025604e-19 2.3493677096762884e-19 2.3546709142911363e-19 2.3564012650416003e-19 2.355568133198784e-19 2.3527963676448e-19 2.347685424224448e-19 2.339642497588032e-19 2.3279626300224004e-19 2.3117325808536965e-19 2.2897186740839044e-19 2.260254646027392e-19 2.221129492947456e-19 2.169170905134912e-19 2.099844722752896e-19 2.0064858910588803e-19 1.878696283783872e-19 1.699765198772928e-19 1.440789369786816e-19 1.0477417989955393e-19 4.0701534657141126e-20 -7.681635808425601e-20 ] } }