{ "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" [ 5.34831 4.989953 4.767858 4.606495 4.479682 4.375203 4.286356 4.209067 4.140672 4.079333 4.02373 3.972882 3.926038 3.882614 3.842144 3.804252 3.768629 3.735018 3.703205 3.673006 3.644266 3.616851 3.590642 3.56554 3.540163 3.514011 3.487037 3.459186 3.4304 3.400614 3.369755 3.337744 3.304492 3.269898 3.233848 3.196216 3.156857 3.115602 3.072262 3.026614 2.978398 2.927308 2.872979 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.34831e-10 4.989953e-10 4.767858000000001e-10 4.606495e-10 4.4796820000000005e-10 4.375203e-10 4.2863559999999997e-10 4.2090670000000003e-10 4.1406720000000004e-10 4.079333e-10 4.0237299999999995e-10 3.972882e-10 3.9260380000000004e-10 3.882614e-10 3.842144e-10 3.804252e-10 3.7686289999999997e-10 3.735018e-10 3.703205e-10 3.673006e-10 3.644266e-10 3.616851e-10 3.590642e-10 3.56554e-10 3.5401630000000004e-10 3.5140110000000004e-10 3.487037e-10 3.459186e-10 3.4304000000000004e-10 3.400614e-10 3.369755e-10 3.337744e-10 3.3044920000000004e-10 3.269898e-10 3.233848e-10 3.196216e-10 3.156857e-10 3.115602e-10 3.072262e-10 3.026614e-10 2.978398e-10 2.9273080000000003e-10 2.872979e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.423345 0.617773 0.756908 0.886792 0.984294 1.0544 1.11077 1.1582 1.19865 1.23325 1.26318 1.29994 1.33659 1.36676 1.39202 1.41567 1.4361 1.45252 1.46551 1.4756 1.48319 1.48847 1.49155 1.49255 1.49149 1.48809 1.48198 1.47246 1.45844 1.43823 1.40942 1.3688 1.3125 1.23752 1.14988 1.04809 0.929515 0.79121 0.628846 0.438152 0.21433 -0.0505007 -0.372927 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.7827346712073e-20 9.897814657160819e-20 1.2127003116876719e-19 1.420797421618128e-19 1.577012847786396e-19 1.6893350428895998e-19 1.77964973974818e-19 1.8556409774987998e-19 1.9204490223441e-19 1.9758843338804999e-19 2.0238374805361198e-19 2.08273349360196e-19 2.1414532672380597e-19 2.18979093628584e-19 2.23026191806068e-19 2.2681533954547797e-19 2.3008858640873996e-19 2.32719360441768e-19 2.34800587889334e-19 2.3641718411304e-19 2.37633236178246e-19 2.38479185440998e-19 2.3897265584426997e-19 2.3913287350767e-19 2.3896304278446597e-19 2.3841830272890597e-19 2.37439372805532e-19 2.35914100649964e-19 2.33667849009096e-19 2.3042985003178198e-19 2.25813979149228e-19 2.1930593766192e-19 2.1028568321249999e-19 1.9827256281076798e-19 1.84231086790392e-19 1.67922530832906e-19 1.4892472139525099e-19 1.2676581745871398e-19 1.007522367584364e-19 7.019968965403679e-20 3.4339451796522e-20 -8.091104154064379e-21 -5.97494925587718e-20 ] } }