{ "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" [ "W" "W" "W" "W" "W" "W" "W" "W" ] } "a" { "source-value" [ 9.3247 8.699911 8.312692 8.031357 7.810262 7.628104 7.473201 7.338449 7.219203 7.11226 7.015317 6.926664 6.844992 6.769283 6.698724 6.63266 6.570552 6.511952 6.456486 6.403835 6.353728 6.305929 6.260236 6.21647 6.186675 6.155318 6.122224 6.087191 6.049977 6.010291 5.967783 5.92202 5.872462 5.818422 5.759007 5.693031 5.61886 5.534168 5.435467 5.317188 5.169591 4.97318 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.3247e-10 8.699911000000001e-10 8.312692e-10 8.031357000000001e-10 7.810262e-10 7.628104000000001e-10 7.473201000000001e-10 7.338449e-10 7.219203e-10 7.11226e-10 7.015317e-10 6.926664e-10 6.844992e-10 6.769283e-10 6.698724e-10 6.63266e-10 6.570552e-10 6.511952e-10 6.456486e-10 6.403835e-10 6.353728e-10 6.305929e-10 6.260236e-10 6.21647e-10 6.186675e-10 6.155318000000001e-10 6.122224e-10 6.087191e-10 6.049977000000001e-10 6.010291e-10 5.967783e-10 5.92202e-10 5.872461999999999e-10 5.818422e-10 5.759007000000001e-10 5.693031e-10 5.61886e-10 5.534168000000001e-10 5.435467e-10 5.317188e-10 5.169591e-10 4.973180000000001e-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" [ 1.63549 2.47505 3.08555 3.54352 3.87624 4.11918 4.30231 4.43931 4.54217 4.62273 4.69025 4.75481 4.82351 4.9005 4.98296 5.06569 5.14414 5.21488 5.27739 5.33252 5.38084 5.42189 5.45636 5.47327 5.46175 5.42207 5.35633 5.27095 5.17543 5.08365 5.00596 4.94335 4.89567 4.86201 4.83876 4.81118 4.7471 4.5869 4.2286 3.48024 1.91763 -1.60521 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.6203438415521923e-19 3.96546724531104e-19 4.94359607230944e-19 5.677344899337216e-19 6.210421104609793e-19 6.599653892866944e-19 6.893060497434049e-19 7.112558694483648e-19 7.2773585816991355e-19 7.406429930270784e-19 7.5146088957072e-19 7.618045418346049e-19 7.728114952195008e-19 7.8514665302304e-19 7.983582014381569e-19 8.116130086220352e-19 8.241820842122113e-19 8.355158816277504e-19 8.455310876843712e-19 8.543638873948416e-19 8.621056048265473e-19 8.686825398549313e-19 8.742052426668288e-19 8.769145233326018e-19 8.7506881586544e-19 8.687113790341055e-19 8.581786699289664e-19 8.44499285940576e-19 8.291952948586945e-19 8.144905178329919e-19 8.020432076659969e-19 7.92011979843168e-19 7.843728017151936e-19 7.789798752095808e-19 7.752548145662208e-19 7.708360114460545e-19 7.60569263659968e-19 7.34902394194752e-19 6.774964058714881e-19 5.575959162772992e-19 3.072381953344704e-19 -2.5718299334743683e-19 ] } }