{ "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" [ "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "a" { "source-value" [ 8.0055 7.469102 7.136664 6.89513 6.705313 6.548926 6.415938 6.300249 6.197873 6.10606 6.022832 5.94672 5.876603 5.811605 5.751028 5.694311 5.640989 5.59068 5.54306 5.497858 5.45484 5.413803 5.374574 5.337 5.31142 5.284499 5.256087 5.22601 5.194061 5.15999 5.123495 5.084206 5.041659 4.995264 4.944255 4.887612 4.823935 4.751224 4.666487 4.564941 4.438225 4.2696 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.0055e-10 7.469102e-10 7.136664e-10 6.895130000000001e-10 6.705313000000001e-10 6.548926e-10 6.415938e-10 6.300249e-10 6.197873000000001e-10 6.106060000000001e-10 6.022832e-10 5.94672e-10 5.876603e-10 5.811605e-10 5.751028e-10 5.694311e-10 5.640989e-10 5.59068e-10 5.54306e-10 5.497858e-10 5.45484e-10 5.413803e-10 5.374574e-10 5.337e-10 5.31142e-10 5.284499e-10 5.256087e-10 5.226009999999999e-10 5.194061e-10 5.15999e-10 5.123495e-10 5.084206e-10 5.041659000000001e-10 4.995264e-10 4.944255e-10 4.887612e-10 4.823935e-10 4.751223999999999e-10 4.666487e-10 4.564941e-10 4.4382250000000005e-10 4.2696e-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" [ 1.69448 2.53992 3.28296 3.96398 4.60054 5.19684 5.75937 6.28815 6.78485 7.25046 7.68602 8.09239 8.46844 8.81404 9.13021 9.41643 9.67107 9.8936 10.0835 10.24 10.3626 10.4506 10.5047 10.523 10.5138 10.4828 10.4238 10.3286 10.1867 9.98281 9.69598 9.29688 8.74311 7.97164 6.88578 5.33204 3.05167 -0.412487 -5.94141 -15.4159 -33.4731 -74.5959 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.714856240413184e-19 4.0694004427023363e-19 5.259881759021569e-19 6.350996081318784e-19 7.370877631055231e-19 8.326255550038272e-19 9.227527964536896e-19 1.007472691808352e-18 1.087052804563488e-18 1.1616517502045569e-18 1.2314361551001218e-18 1.2965438064395714e-18 1.3567936582647552e-18 1.4121648822796033e-18 1.462820900499437e-18 1.5086783997399746e-18 1.5494762252120257e-18 1.585129461554688e-18 1.6155547955836801e-18 1.6406288596992e-18 1.6602715450702081e-18 1.674370699333248e-18 1.683038474851776e-18 1.68597045806784e-18 1.684496455576704e-18 1.679529708052224e-18 1.670076865989504e-18 1.654824144559488e-18 1.6320892583103361e-18 1.599422479188845e-18 1.5534672471744386e-18 1.4895243782383105e-18 1.4008006435082688e-18 1.2771975237434112e-18 1.1032235731972223e-18 8.542869829170432e-19 4.889314328396736e-19 -6.608770277839296e-20 -9.51918819658733e-19 -2.4698994568590723e-18 -5.362981824570048e-18 -1.1951580698753473e-17 ] } }