{ "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" [ "O" "O" "O" "O" ] } "a" { "source-value" [ 4.30427 4.015867 3.837127 3.707262 3.605205 3.521121 3.449617 3.387416 3.332372 3.283007 3.238258 3.197336 3.159636 3.124689 3.092119 3.061623 3.032954 3.005905 2.980302 2.955998 2.932868 2.910804 2.889712 2.86951 2.849087 2.82804 2.806331 2.783918 2.760751 2.736779 2.711945 2.686183 2.659422 2.631581 2.602569 2.572283 2.540607 2.507406 2.472527 2.43579 2.396986 2.355869 2.312146 2.265464 2.215392 2.161401 2.102823 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.30427e-10 4.0158670000000004e-10 3.8371270000000005e-10 3.707262e-10 3.605205e-10 3.521121e-10 3.449617e-10 3.387416e-10 3.332372e-10 3.283007e-10 3.238258e-10 3.197336e-10 3.159636e-10 3.124689e-10 3.092119e-10 3.061623e-10 3.032954e-10 3.005905e-10 2.980302e-10 2.9559980000000003e-10 2.932868e-10 2.910804e-10 2.889712e-10 2.8695100000000004e-10 2.849087e-10 2.8280400000000003e-10 2.8063310000000005e-10 2.783918e-10 2.760751e-10 2.736779e-10 2.711945e-10 2.686183e-10 2.6594220000000004e-10 2.631581e-10 2.602569e-10 2.5722830000000003e-10 2.540607e-10 2.507406e-10 2.472527e-10 2.43579e-10 2.3969860000000003e-10 2.355869e-10 2.312146e-10 2.2654640000000002e-10 2.2153920000000002e-10 2.1614010000000002e-10 2.102823e-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" [ -0.470714 -0.822568 -1.14696 -1.4535 -1.71023 -1.90409 -2.05379 -2.16356 -2.24475 -2.31076 -2.37554 -2.45181 -2.54984 -2.67674 -2.83632 -3.02925 -3.25371 -3.50586 -3.78061 -4.07238 -4.37555 -1.41197 -1.35295 -1.30565 -1.69737 -2.18362 -2.70859 -6.0808 -6.32672 -6.60746 -6.93111 -7.30707 -7.74542 -8.25608 -8.84768 -9.52753 -10.3009 -11.1699 -12.1364 -13.2047 -14.3846 -15.6947 -17.1648 -18.8381 -20.7746 -23.0583 -25.8111 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -7.54166972096676e-20 -1.3178992294761118e-19 -1.83763251213264e-19 -2.328763737519e-19 -2.7400905447658197e-19 -3.05068850703306e-19 -3.2905343491428594e-19 -3.4664052782570397e-19 -3.5964859991714995e-19 -3.70224567878184e-19 -3.8060346811323596e-19 -3.92823269300754e-19 -4.08529406843856e-19 -4.28861028329316e-19 -4.54428563054688e-19 -4.8533935685445e-19 -5.213018135812139e-19 -5.61700697407524e-19 -6.05720500426674e-19 -6.524672080768919e-19 -7.010403970898699e-19 -2.26222534190898e-19 -2.1676648769703e-19 -2.0918819221820998e-19 -2.71948655325258e-19 -3.4985449415350794e-19 -4.33963960908606e-19 -9.7425156760272e-19 -1.013652295386048e-18 -1.0586318022089639e-18 -1.110486248968374e-18 -1.170721681700238e-18 -1.240953094451628e-18 -1.322769846443472e-18 -1.417554616110912e-18 -1.526478594573402e-18 -1.6503861289170599e-18 -1.7896152784116598e-18 -1.94446565008776e-18 -2.11562617989798e-18 -2.30466700094364e-18 -2.5145681617639797e-18 -2.75010414872832e-18 -3.01819636489554e-18 -3.3284578700696398e-18 -3.694346947976219e-18 -4.1353941317837396e-18 ] } }