{ "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" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" ] } "a" { "source-value" [ 8.71791 8.133778 7.771756 7.508728 7.30202 7.131715 6.986893 6.860909 6.749423 6.649439 6.558804 6.47592 6.399563 6.32878 6.262813 6.201048 6.142981 6.088195 6.036338 5.987113 5.940266 5.895578 5.852858 5.81194 5.770574 5.727946 5.683977 5.638579 5.591657 5.543105 5.492805 5.440626 5.386424 5.330034 5.271272 5.209931 5.145773 5.078528 5.007882 4.933474 4.854881 4.771602 4.683045 4.588493 4.487077 4.377722 4.259077 4.129417 3.986484 3.82725 3.64751 3.441193 3.199049 2.90597 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.717910000000001e-10 8.133778e-10 7.771756e-10 7.508728e-10 7.30202e-10 7.131715e-10 6.986893000000001e-10 6.860909e-10 6.749423000000001e-10 6.649439e-10 6.558804e-10 6.475920000000001e-10 6.399563e-10 6.328780000000001e-10 6.262813e-10 6.201048e-10 6.142981e-10 6.088195e-10 6.036338e-10 5.987113e-10 5.940266e-10 5.895578000000001e-10 5.852858000000001e-10 5.81194e-10 5.770574e-10 5.727946000000001e-10 5.683977e-10 5.638579e-10 5.591657e-10 5.543105e-10 5.492804999999999e-10 5.440626e-10 5.386424000000001e-10 5.330034000000001e-10 5.271272e-10 5.209931e-10 5.145773000000001e-10 5.078528e-10 5.007882e-10 4.933474000000001e-10 4.854881e-10 4.771602e-10 4.683045e-10 4.588493e-10 4.4870770000000004e-10 4.3777220000000006e-10 4.2590769999999997e-10 4.1294170000000005e-10 3.986484e-10 3.82725e-10 3.64751e-10 3.4411930000000003e-10 3.199049e-10 2.90597e-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" [ 0.173715 0.420168 0.514828 0.557114 0.598081 0.632293 0.639357 0.634125 0.62769 0.62058 0.610957 0.811309 1.83854 2.60751 3.1654 3.6159 4.04286 4.46591 4.86068 5.19495 5.44178 5.58979 5.65578 5.67092 5.66306 5.64923 5.63488 5.61238 5.5626 5.46901 5.3348 5.183 5.03405 4.88242 4.79121 4.81015 4.84259 4.89461 4.97401 5.08361 5.20337 5.2499 4.82525 2.27931 -10.345 -75.5167 -453.554 -3017.43 -24073.1 -242869 -3298820.0 -65896000.0 -2214060000.0 -155806000000.0 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.7832211397531e-20 6.731833519545119e-20 8.248453921289519e-20 8.92595033274276e-20 9.582314034393539e-20 1.013045070441762e-19 1.0243628461843379e-19 1.0159802580352501e-19 1.0056702513954599e-19 9.9427877552772e-20 9.788610297787378e-20 1.2998603227539059e-19 2.9456658286743597e-19 4.1776915949213396e-19 5.0715299172636e-19 5.793310490880599e-19 6.47737582653324e-19 7.155176651546939e-19 7.78766792135112e-19 8.3232275047983e-19 8.71869276336852e-19 8.95583092696686e-19 9.06155856304452e-19 9.08581551728328e-19 9.07322240894004e-19 9.05106430609182e-19 9.02807307139392e-19 8.99202409712892e-19 8.9122677442884e-19 8.76232003311234e-19 8.5472919070632e-19 8.304081494021999e-19 8.065437284387699e-19 7.822499241374279e-19 7.67636471058714e-19 7.7067099360351e-19 7.75868454604206e-19 7.84202977454274e-19 7.969242599282339e-19 8.14484115836874e-19 8.336717832056579e-19 8.4112671108366e-19 7.730902803208499e-19 3.65185722364254e-19 -1.657451727873e-18 -1.2099109221678779e-17 -7.26673621057236e-17 -4.834455840730619e-16 -3.85693583279454e-15 -3.89119036922946e-14 -5.28529232377188e-13 -1.0557703147406399e-11 -3.54731519827404e-10 -2.4962873263700397e-08 ] } }