{ "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" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" ] } "a" { "source-value" [ 10.6767 9.961316 9.517949 9.195819 8.942665 8.734094 8.55673 8.402438 8.265901 8.143452 8.032452 7.930943 7.837429 7.750742 7.669952 7.594309 7.523194 7.456098 7.392589 7.332304 7.27493 7.220201 7.167882 7.11777 7.06711 7.014905 6.961056 6.905459 6.847994 6.788533 6.726932 6.66303 6.596649 6.527589 6.455626 6.380502 6.30193 6.219576 6.133058 6.041932 5.94568 5.84369 5.735236 5.619441 5.495239 5.361313 5.216011 5.057219 4.882173 4.687162 4.467039 4.214366 3.917818 3.55889 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.06767e-09 9.961316e-10 9.517949e-10 9.195819e-10 8.942665e-10 8.734094000000001e-10 8.55673e-10 8.402438000000001e-10 8.265901e-10 8.143452e-10 8.032451999999999e-10 7.930943e-10 7.837429e-10 7.750742e-10 7.669952000000001e-10 7.594309e-10 7.523194000000001e-10 7.456098e-10 7.392589e-10 7.332304e-10 7.274930000000001e-10 7.220201000000001e-10 7.167882e-10 7.117770000000001e-10 7.067109999999999e-10 7.014905e-10 6.961056e-10 6.905459e-10 6.847994e-10 6.788533e-10 6.726932e-10 6.66303e-10 6.596649000000001e-10 6.527589e-10 6.455626e-10 6.380502e-10 6.30193e-10 6.219576000000001e-10 6.133058e-10 6.041932e-10 5.94568e-10 5.84369e-10 5.735236e-10 5.619441e-10 5.495239e-10 5.361313e-10 5.216011e-10 5.057219e-10 4.882173e-10 4.687162e-10 4.4670389999999997e-10 4.214366e-10 3.917818e-10 3.55889e-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" [ 0.0445771 0.114009 0.169579 0.216133 0.256094 0.290854 0.321343 0.348228 0.372005 0.393057 0.411691 0.428155 0.442656 0.455366 0.466432 0.475981 0.484121 0.490948 0.496548 0.500995 0.504357 0.506693 0.508059 0.508505 0.508022 0.50642 0.503506 0.499061 0.492827 0.484491 0.473676 0.459921 0.442667 0.421224 0.394745 0.362176 0.322209 0.273233 0.213347 0.140669 0.0548485 -0.0372649 -0.106282 -0.203848 -0.398249 -0.673808 -1.04991 -1.56122 -2.26018 -3.22368 -4.56389 -6.45217 -9.22228 -13.9997 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.14203880314814e-21 1.82662555865706e-20 2.71695511417086e-20 3.46283242436322e-20 4.10307822907596e-20 4.65999482705436e-20 5.1484824609946197e-20 5.579227649045519e-20 5.960177187311699e-20 6.297467412301379e-20 6.596017006280939e-20 6.8597993673027e-20 7.09213100099904e-20 7.295767651180439e-20 7.473064517498879e-20 7.626056364279539e-20 7.75647354228714e-20 7.86585414109032e-20 7.955576032594319e-20 8.026824827508299e-20 8.080690005943381e-20 8.118116852113619e-20 8.14000258493406e-20 8.147148292721699e-20 8.139409779579479e-20 8.1137429099028e-20 8.067055482788039e-20 7.995838731406739e-20 7.89595904004318e-20 7.76240159583294e-20 7.58912619286584e-20 7.36874679685914e-20 7.092307240428779e-20 6.74875250480016e-20 6.3245121538833e-20 5.80269924595584e-20 5.16235731064506e-20 4.37767528237722e-20 3.41819578333998e-20 2.2537658492814598e-20 8.7876985109949e-21 -5.970495204834659e-21 -1.70282537014788e-20 -3.26600502487632e-20 -6.38065242313866e-20 -1.0795594334022718e-19 -1.6821412698029398e-19 -2.50135020453348e-19 -3.62120758463412e-19 -5.164904771493119e-19 -7.312157918146259e-19 -1.0337516012595779e-18 -1.477572152820552e-18 -2.24299922230098e-18 ] } }