{ "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 7.083656 7.047752 7.00986 6.969747 6.927137 6.881698 6.833027 6.780629 6.723886 6.66201 6.593982 6.518439 6.433515 6.336543 6.223533 6.088104 5.919108 5.69422 ] "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 7.083656e-10 7.047752e-10 7.00986e-10 6.969747e-10 6.927137e-10 6.881698000000001e-10 6.833027e-10 6.780629e-10 6.723886000000001e-10 6.66201e-10 6.593982e-10 6.518439e-10 6.433515e-10 6.336543e-10 6.223533e-10 6.088104e-10 5.919108e-10 5.69422e-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 0.508289 0.507564 0.506203 0.504066 0.500974 0.496692 0.490915 0.483231 0.47308 0.459679 0.441907 0.418099 0.385703 0.340595 0.275762 0.178701 0.0303009 -0.124632 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.142038744306369e-21 1.8266255436078722e-20 2.7169550917864323e-20 3.462832395833664e-20 4.1030781952715523e-20 4.6599947886616325e-20 5.148482418577344e-20 5.579227603079424e-20 5.96017713820704e-20 6.297467360417857e-20 6.596016951937727e-20 6.859799310786241e-20 7.092130942568448e-20 7.295767591072128e-20 7.473064455929857e-20 7.626056301450048e-20 7.756473478383169e-20 7.865854076285184e-20 7.955575967049984e-20 8.02682476137696e-20 8.080689939368257e-20 8.118116785230144e-20 8.140002517870273e-20 8.147148225599041e-20 8.143687524098113e-20 8.132071743597312e-20 8.110266119788223e-20 8.076027605401729e-20 8.026488304286593e-20 7.957883101383937e-20 7.86532535800032e-20 7.742214106458049e-20 7.57957715768064e-20 7.364869468727233e-20 7.080130639678657e-20 6.698684429798592e-20 6.179643291724225e-20 5.45693346161376e-20 4.4181942930504966e-20 2.863105643135808e-20 4.854739356919872e-21 -1.9968247660354564e-20 ] } }