{ "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" [ "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "a" { "source-value" [ 8.86515 8.271152 7.903016 7.635546 7.425346 7.252166 7.104897 6.976785 6.863416 6.761744 6.669579 6.585294 6.507647 6.435669 6.368588 6.305779 6.246732 6.19102 6.138288 6.088232 6.040593 5.99515 5.951709 5.9101 5.868035 5.824688 5.779976 5.733811 5.686097 5.636724 5.585575 5.532515 5.477397 5.420055 5.360301 5.297924 5.232682 5.164301 5.092462 5.016798 4.936877 4.852192 4.762138 4.66599 4.562861 4.451659 4.33101 4.19916 4.053814 3.89189 3.709114 3.499312 3.253079 2.95505 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.86515e-10 8.271152000000001e-10 7.903016e-10 7.635546e-10 7.425346e-10 7.252166000000001e-10 7.104897e-10 6.976785e-10 6.863416e-10 6.761744e-10 6.669579e-10 6.585294e-10 6.507647000000001e-10 6.435669e-10 6.368588e-10 6.305779000000001e-10 6.246732e-10 6.19102e-10 6.138288000000001e-10 6.088232e-10 6.040593000000001e-10 5.99515e-10 5.951709e-10 5.9101e-10 5.868035000000001e-10 5.824688e-10 5.779975999999999e-10 5.733811000000001e-10 5.686097000000001e-10 5.636724e-10 5.585575e-10 5.532515e-10 5.477397e-10 5.420055e-10 5.360301e-10 5.297924e-10 5.232681999999999e-10 5.164301e-10 5.092462e-10 5.016798e-10 4.936877e-10 4.852192e-10 4.762138e-10 4.66599e-10 4.562861e-10 4.4516590000000006e-10 4.3310100000000004e-10 4.19916e-10 4.0538140000000003e-10 3.89189e-10 3.709114e-10 3.499312e-10 3.2530790000000004e-10 2.95505e-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" [ 0.665065 1.01436 1.29824 1.53891 1.74747 1.9324 2.09716 2.24214 2.37097 2.48575 2.58794 2.67873 2.75908 2.82983 2.8917 2.94536 2.99154 3.03086 3.06354 3.08955 3.10915 3.12275 3.13071 3.1333 3.1305 3.12142 3.1049 3.07954 3.04368 2.99529 2.93195 2.85069 2.74789 2.61908 2.45874 2.25997 2.01413 1.71037 1.33477 0.868584 0.287669 -0.439622 -1.35588 -2.51874 -4.01207 -5.95351 -8.51435 -11.9516 -16.6674 -23.3211 -33.0374 -47.8572 -71.8089 -113.692 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0655516030912099e-19 1.6251838904642397e-19 2.0800097933241598e-19 2.4656056438289398e-19 2.79975560261598e-19 3.0960461275415994e-19 3.36002074975944e-19 3.59230431815676e-19 3.7987127339149796e-19 3.9826105679654998e-19 4.14633699819396e-19 4.2917986147948193e-19 4.42053350733672e-19 4.533887504192219e-19 4.6330141725378e-19 4.71898697071824e-19 4.79297548767636e-19 4.85597307292524e-19 4.90833220532436e-19 4.9500048195747e-19 4.9814074816011e-19 5.003197083823499e-19 5.01595040983014e-19 5.0201000473122e-19 5.015613952737e-19 5.00106618890028e-19 4.9745982309066e-19 4.93396703146836e-19 4.87651297737312e-19 4.798983650053859e-19 4.6975017820563e-19 4.56730890877746e-19 4.40260515080226e-19 4.1962287785767195e-19 3.93933577708116e-19 3.6208711275409796e-19 3.22699202383842e-19 2.7403148494945797e-19 2.1385373057641798e-19 1.391624989466256e-19 4.60896550126146e-20 -7.04352096192348e-20 -2.17235925450792e-19 -4.03546637512116e-19 -6.428044807972378e-19 -9.53857461228534e-19 -1.36414926236979e-18 -1.91485742589144e-18 -2.67041188295316e-18 -3.73645214991774e-18 -5.293175032811159e-18 -7.667568760866479e-18 -1.1505054169324258e-17 -1.82154665872728e-17 ] } }