{ "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" [ "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 5.27943 4.925689 4.706454 4.547168 4.421989 4.318855 4.231153 4.154859 4.087345 4.026796 3.971909 3.921716 3.875475 3.83261 3.792662 3.755257 3.720093 3.686915 3.655512 3.625702 3.597332 3.57027 3.544399 3.51962 3.494569 3.468755 3.442128 3.414636 3.38622 3.356818 3.326357 3.294758 3.261934 3.227785 3.1922 3.155053 3.1162 3.075477 3.032695 2.987635 2.94004 2.889608 2.835979 2.77872 2.717304 2.65108 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.27943e-10 4.925689e-10 4.706454e-10 4.547168e-10 4.421989e-10 4.318855e-10 4.2311530000000004e-10 4.154859e-10 4.0873450000000003e-10 4.0267960000000003e-10 3.9719090000000003e-10 3.921716e-10 3.875475e-10 3.83261e-10 3.792662e-10 3.755257e-10 3.720093e-10 3.686915e-10 3.655512e-10 3.6257020000000003e-10 3.5973320000000005e-10 3.57027e-10 3.544399e-10 3.51962e-10 3.494569e-10 3.468755e-10 3.442128e-10 3.414636e-10 3.38622e-10 3.3568180000000003e-10 3.326357e-10 3.294758e-10 3.2619340000000004e-10 3.227785e-10 3.1922e-10 3.1550530000000003e-10 3.1162e-10 3.075477e-10 3.032695e-10 2.9876350000000004e-10 2.9400400000000005e-10 2.889608e-10 2.8359790000000004e-10 2.77872e-10 2.717304e-10 2.65108e-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" [ 1.15545 1.69333 2.11596 2.48332 2.80268 3.07197 3.29719 3.48649 3.64645 3.7821 3.8974 3.99565 4.07961 4.15159 4.21341 4.26642 4.31154 4.34943 4.38063 4.40577 4.42529 4.43913 4.4473 4.44997 4.44713 4.43794 4.42144 4.39656 4.36203 4.31638 4.25785 4.18427 4.09288 3.9801 3.8411 3.66935 3.45625 3.1907 2.85878 2.44317 1.92208 1.26662 0.435932 -0.631118 -2.02349 -3.86653 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.8512349917553e-19 2.7130137596512197e-19 3.3901416704786395e-19 3.97871727874488e-19 4.49038840857912e-19 4.92183855434898e-19 5.282680775858459e-19 5.58597281267466e-19 5.8422569870492995e-19 6.059592247451399e-19 6.244323213351599e-19 6.401737067642099e-19 6.536255817832739e-19 6.651580491948059e-19 6.750627051461939e-19 6.83555843483028e-19 6.907848644556359e-19 6.968555117218619e-19 7.018543028199419e-19 7.058821748778181e-19 7.090096236673861e-19 7.112270361288419e-19 7.1253601443882e-19 7.12963795600098e-19 7.125087774360419e-19 7.11036377109396e-19 7.083927856632958e-19 7.044065701979039e-19 6.988742542807019e-19 6.915603179464919e-19 6.8218277810769e-19 6.703939624347179e-19 6.55751670176592e-19 6.3768232209834e-19 6.1541206688574e-19 5.8789468319679e-19 5.537522991262499e-19 5.112064986103799e-19 4.580270517746519e-19 3.9143898868897797e-19 3.07951166467872e-19 2.02934896815708e-19 6.984400644128879e-20 -1.0111625128968118e-19 -3.2419883971326597e-19 -6.194864020660019e-19 ] } }