{ "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" [ "Au" "Au" "Au" "Au" ] } "a" { "source-value" [ 6.27308 5.85276 5.592262 5.402997 5.254257 5.131712 5.027503 4.93685 4.856628 4.784684 4.719466 4.659825 4.604882 4.553949 4.506482 4.462038 4.420255 4.380833 4.343518 4.308098 4.274389 4.242233 4.211493 4.18205 4.162006 4.140911 4.118647 4.095079 4.070043 4.043345 4.014749 3.983962 3.950622 3.914267 3.874297 3.829912 3.780014 3.723038 3.656639 3.577068 3.477774 3.34564 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.273080000000001e-10 5.85276e-10 5.592262e-10 5.402997e-10 5.254257e-10 5.131712000000001e-10 5.027503e-10 4.93685e-10 4.856628e-10 4.784684e-10 4.719466e-10 4.659824999999999e-10 4.604882e-10 4.5539490000000003e-10 4.5064820000000004e-10 4.462038e-10 4.4202550000000004e-10 4.380833e-10 4.3435180000000006e-10 4.308098e-10 4.2743890000000004e-10 4.242233e-10 4.211493e-10 4.1820500000000006e-10 4.162006e-10 4.140911e-10 4.118647e-10 4.095079e-10 4.070043e-10 4.043345000000001e-10 4.014749e-10 3.983962e-10 3.950622e-10 3.9142670000000005e-10 3.874297e-10 3.8299120000000006e-10 3.780014e-10 3.723038e-10 3.656639e-10 3.577068e-10 3.477774e-10 3.34564e-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" [ 1.46785 1.76045 2.03435 2.27788 2.48388 2.64377 2.76233 2.86039 2.95647 3.06046 3.17415 3.29212 3.40683 3.51219 3.60508 3.68442 3.7499 3.80171 3.84079 3.86846 3.88639 3.89662 3.90129 3.90245 3.90209 3.9012 3.8999 3.89774 3.89327 3.88311 3.8608 3.81562 3.73329 3.60427 3.46017 3.42072 3.37882 3.29164 3.12353 2.78658 2.08299 0.48365 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.3517549528412805e-19 2.82055183208736e-19 3.25938800852448e-19 3.6495660809879042e-19 3.9796144648727045e-19 4.2357864847724163e-19 4.425740544934464e-19 4.582849984370113e-19 4.736787114096576e-19 4.903397460893568e-19 5.085548920912321e-19 5.274557696868097e-19 5.458343377040064e-19 5.627148705807552e-19 5.775974892113664e-19 5.903091585207936e-19 6.00800211033792e-19 6.091010881061569e-19 6.153623943402433e-19 6.197956170499968e-19 6.226683197310912e-19 6.243073464141697e-19 6.250555628960833e-19 6.25241415384096e-19 6.251837370257472e-19 6.25041143306496e-19 6.248328603457921e-19 6.244867901956993e-19 6.237706172462016e-19 6.221428057994688e-19 6.18568349758464e-19 6.113297157856897e-19 5.981389956666432e-19 5.774677129050816e-19 5.543803477993536e-19 5.480597610302977e-19 5.413466409891456e-19 5.273788652090113e-19 5.004446740367424e-19 4.464593327988864e-19 3.3373178793601924e-19 7.7489272264992e-20 ] } }