{ "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" [ 5.14878 4.803793 4.589983 4.43464 4.312558 4.211977 4.126445 4.052039 3.986195 3.927145 3.873617 3.824665 3.779569 3.737765 3.698805 3.662326 3.628032 3.595675 3.565049 3.535977 3.508309 3.481916 3.456686 3.43252 3.408089 3.382913 3.356945 3.330134 3.302421 3.273747 3.244039 3.213223 3.181211 3.147907 3.113203 3.076975 3.039083 2.999368 2.957645 2.9137 2.867283 2.818099 2.765797 2.709955 2.650059 2.585474 2.515402 2.438825 2.35441 2.260366 2.154212 2.032361 1.889352 1.71626 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.148780000000001e-10 4.803793e-10 4.5899830000000004e-10 4.43464e-10 4.312558e-10 4.2119770000000005e-10 4.1264450000000007e-10 4.052039e-10 3.986195e-10 3.927145e-10 3.873617e-10 3.824665e-10 3.779569e-10 3.737765e-10 3.698805e-10 3.6623260000000004e-10 3.628032e-10 3.595675e-10 3.565049e-10 3.535977e-10 3.5083090000000005e-10 3.481916e-10 3.456686e-10 3.43252e-10 3.408089e-10 3.382913e-10 3.3569450000000004e-10 3.330134e-10 3.302421e-10 3.2737470000000003e-10 3.244039e-10 3.2132230000000004e-10 3.1812109999999997e-10 3.147907e-10 3.113203e-10 3.076975e-10 3.039083e-10 2.999368e-10 2.957645e-10 2.9137e-10 2.8672830000000003e-10 2.818099e-10 2.765797e-10 2.709955e-10 2.6500590000000004e-10 2.585474e-10 2.515402e-10 2.438825e-10 2.35441e-10 2.260366e-10 2.1542119999999999e-10 2.0323609999999999e-10 1.889352e-10 1.71626e-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" [ -0.94476 -1.56094 -1.94263 -2.18288 -2.35288 -2.47577 -2.56323 -2.62355 -2.66263 -2.68488 -2.6945 -2.69642 -2.69302 -2.68559 -2.67568 -2.66491 -2.65412 -2.64382 -2.63437 -2.626 -2.61889 -2.61312 -2.60926 -2.60802 -2.60932 -2.61344 -2.62077 -2.63174 -2.64685 -2.66666 -2.69184 -2.72331 -2.76249 -2.8114 -2.8727 -2.94892 -3.04304 -3.1586 -3.29717 -3.45977 -3.65374 -3.881 -4.14337 -4.44433 -4.78951 -5.18353 -5.64116 -6.15857 -6.75211 -7.48564 -8.40871 -9.75141 -11.9891 -15.6979 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -1.51367239673784e-19 -2.5009015950759597e-19 -3.11243639450742e-19 -3.4973593308259197e-19 -3.7697293586059197e-19 -3.9666208451581793e-19 -4.10674721356782e-19 -4.2033905081306992e-19 -4.26600357098742e-19 -4.30165200109392e-19 -4.317064940313e-19 -4.3201411194502795e-19 -4.31469371889468e-19 -4.3027895465040597e-19 -4.2869119760611193e-19 -4.2696565337129396e-19 -4.2523690478320795e-19 -4.2358666285018794e-19 -4.22072605931058e-19 -4.2073158408839995e-19 -4.19592436501626e-19 -4.1866798058380795e-19 -4.1804954040308394e-19 -4.1785087050046794e-19 -4.1805915346288795e-19 -4.18719250236096e-19 -4.1989364570881793e-19 -4.21651233476316e-19 -4.2407212237029e-19 -4.2724603428224394e-19 -4.3128031504665596e-19 -4.36322364913854e-19 -4.425996929658659e-19 -4.504359388827599e-19 -4.6025728164918e-19 -4.72469071953528e-19 -4.87548758432736e-19 -5.060635116152399e-19 -5.28264873232578e-19 -5.5431626530141795e-19 -5.85393685471116e-19 -6.218047516553999e-19 -6.638410600016579e-19 -7.120601679785219e-19 -7.67364101030934e-19 -8.304930647638019e-19 -9.03813474065544e-19 -9.867116952853379e-19 -1.0818072872197739e-18 -1.199331749853576e-18 -1.3472238684082137e-18 -1.562348125055394e-18 -1.92086558826894e-18 -2.5150808582868598e-18 ] } }