{ "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" [ "Tl" "Tl" "Tl" "Tl" ] } "a" { "source-value" [ 5.98239 5.581548 5.333122 5.152627 5.01078 4.893914 4.794534 4.708082 4.631578 4.562967 4.500772 4.443895 4.391497 4.342925 4.297657 4.255273 4.215426 4.177831 4.142246 4.108467 4.07632 4.045654 4.016338 3.98826 3.969145 3.949027 3.927795 3.905319 3.881444 3.855983 3.828712 3.799352 3.767557 3.732887 3.694768 3.65244 3.604855 3.55052 3.487197 3.411313 3.31662 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.98239e-10 5.581548e-10 5.333122000000001e-10 5.152627e-10 5.01078e-10 4.893913999999999e-10 4.794534e-10 4.708082e-10 4.6315780000000005e-10 4.5629670000000005e-10 4.5007720000000005e-10 4.4438950000000005e-10 4.3914970000000004e-10 4.3429250000000003e-10 4.2976570000000003e-10 4.255273e-10 4.2154260000000003e-10 4.1778310000000004e-10 4.142246e-10 4.108467e-10 4.07632e-10 4.045654e-10 4.016338e-10 3.98826e-10 3.969145e-10 3.9490270000000003e-10 3.927795e-10 3.9053190000000003e-10 3.881444e-10 3.855983e-10 3.828712e-10 3.799352e-10 3.767557e-10 3.732887e-10 3.694768e-10 3.65244e-10 3.6048550000000003e-10 3.5505200000000005e-10 3.487197e-10 3.411313e-10 3.31662e-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" [ 0.780099 1.16562 1.50678 1.81898 2.10904 2.3804 2.63618 2.87688 3.103 3.31553 3.51425 3.69919 3.8705 4.02829 4.1721 4.30175 4.41708 4.51815 4.60436 4.67542 4.73105 4.77116 4.79588 4.80419 4.80001 4.78591 4.75909 4.71579 4.65101 4.55792 4.42708 4.24514 3.99292 3.64229 3.14872 2.44209 1.40522 -0.170776 -2.68548 -6.99411 -15.21 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.2498563797094592e-19 1.8675291127368962e-19 2.4141276886890243e-19 2.914327229702784e-19 3.379054580332032e-19 3.81382122815232e-19 4.2236259642205444e-19 4.609269876847104e-19 4.9715540543424e-19 5.312064651561024e-19 5.6304491896464e-19 5.926755733897153e-19 6.2012246108064e-19 6.454032059802433e-19 6.684441079639681e-19 6.892163278526401e-19 7.076942308203265e-19 7.238874299267521e-19 7.376997945746688e-19 7.490848616420736e-19 7.57997770183584e-19 7.644241006096129e-19 7.683846812162305e-19 7.6971608998811525e-19 7.690463801606209e-19 7.667873111252929e-19 7.624902734283072e-19 7.555528486602432e-19 7.451739485107009e-19 7.302592863476736e-19 7.0929640744112645e-19 6.801464060022913e-19 6.397363072724736e-19 5.835591884173632e-19 5.044805569445376e-19 3.912659503889472e-19 2.251410631080576e-19 -2.7361331459374086e-20 -4.3026132716259842e-19 -1.120579952530349e-18 -2.4369106402368004e-18 ] } }