{ "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" [ "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" ] } "a" { "source-value" [ 8.2515 7.698619 7.355965 7.107009 6.91136 6.750167 6.613092 6.493849 6.388327 6.293693 6.207907 6.129456 6.057185 5.990189 5.927751 5.86929 5.81433 5.762475 5.713392 5.666801 5.622461 5.580163 5.539729 5.501 5.461847 5.4215 5.379883 5.336914 5.292502 5.246548 5.198938 5.149552 5.098249 5.044876 4.989258 4.931199 4.870473 4.806826 4.73996 4.669532 4.595144 4.51632 4.432501 4.343008 4.247018 4.143513 4.031215 3.908492 3.773207 3.622491 3.452368 3.257088 3.0279 2.7505 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.2515e-10 7.698619000000001e-10 7.355965e-10 7.107009e-10 6.91136e-10 6.750167000000001e-10 6.613092e-10 6.493849e-10 6.388327000000001e-10 6.293693000000001e-10 6.207907e-10 6.129456000000001e-10 6.057185e-10 5.990189e-10 5.927751e-10 5.869290000000001e-10 5.814330000000001e-10 5.762475000000001e-10 5.713392e-10 5.666801000000001e-10 5.622461000000001e-10 5.580163e-10 5.539729000000001e-10 5.501000000000001e-10 5.461847e-10 5.4215e-10 5.379883000000001e-10 5.336914000000001e-10 5.292502e-10 5.246548e-10 5.198938e-10 5.149552e-10 5.098249e-10 5.044876e-10 4.989258000000001e-10 4.931199e-10 4.870473e-10 4.806826e-10 4.73996e-10 4.669532e-10 4.5951440000000006e-10 4.5163200000000004e-10 4.4325010000000003e-10 4.3430080000000004e-10 4.247018e-10 4.1435129999999997e-10 4.0312150000000006e-10 3.908492e-10 3.773207e-10 3.6224910000000004e-10 3.452368e-10 3.257088e-10 3.0279e-10 2.7505000000000005e-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" [ 1.27652 1.7137 2.11324 2.40744 2.62186 2.8051 2.97976 3.15003 3.3131 3.46455 3.60055 3.7195 3.82207 3.91002 3.98538 4.04991 4.10496 4.15144 4.18995 4.22091 4.24461 4.2612 4.27087 4.27397 4.27076 4.26073 4.24342 4.21853 4.18591 4.14556 4.09768 4.0428 3.98181 3.91594 3.84695 3.77685 3.69287 3.56361 3.34652 2.98529 2.40013 1.47495 0.0472116 -2.10551 -5.31123 -10.1127 -17.3066 -28.0886 -44.3331 -68.85 -105.496 -139.923 -179.025 -244.56 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.04521051683368e-19 2.7456500976857996e-19 3.3857837500341596e-19 3.8571441157569592e-19 4.2006828296192394e-19 4.4942656760334e-19 4.77410184692784e-19 5.04690446239902e-19 5.3081714061054e-19 5.5508210573247e-19 5.7687170795487e-19 5.959295990163e-19 6.123631247512379e-19 6.264542682472679e-19 6.38528271361092e-19 6.488671171802939e-19 6.57687099550464e-19 6.65134016545296e-19 6.713039987628299e-19 6.762643376216939e-19 6.800614962442739e-19 6.827195072800799e-19 6.842688120851581e-19 6.84765486841698e-19 6.842511881421839e-19 6.826442049782819e-19 6.79870837224828e-19 6.758830195828021e-19 6.706567194026939e-19 6.6419193668450395e-19 6.56520714960912e-19 6.4772796959352e-19 6.379562943027539e-19 6.27402756814596e-19 6.1634934021663e-19 6.0511808201229e-19 5.916630026399579e-19 5.70953267468874e-19 5.361716149213679e-19 4.78296188371386e-19 3.8454322045624195e-19 2.3631304263182996e-19 7.564132237375439e-21 -3.37339892465334e-19 -8.509528603799819e-19 -1.62023316466518e-18 -2.7728230133984396e-18 -4.50028986017724e-18 -7.10294569327854e-18 -1.1030986125089999e-17 -1.69023226180464e-17 -2.2418136115918198e-17 -2.8682967190185e-17 -3.9182831761103996e-17 ] } }