{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Si" "Si" ] } "a" { "source-value" [ 4.71774 4.401634 4.205724 4.063385 3.951524 3.859363 3.780991 3.712815 3.652483 3.598377 3.549329 3.504476 3.463155 3.42485 3.389152 3.355727 3.324304 3.294656 3.266594 3.239956 3.214604 3.190421 3.167303 3.14516 3.130086 3.114221 3.097477 3.079753 3.060924 3.040846 3.019339 2.996186 2.971113 2.943772 2.913711 2.880331 2.842805 2.799956 2.75002 2.690177 2.615502 2.51613 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.71774e-10 4.4016339999999995e-10 4.205724e-10 4.0633850000000005e-10 3.951524e-10 3.859363e-10 3.7809910000000004e-10 3.712815e-10 3.6524830000000003e-10 3.598377e-10 3.5493290000000003e-10 3.504476e-10 3.463155e-10 3.4248500000000003e-10 3.389152e-10 3.355727e-10 3.3243040000000003e-10 3.294656e-10 3.266594e-10 3.239956e-10 3.214604e-10 3.190421e-10 3.167303e-10 3.1451600000000003e-10 3.130086e-10 3.1142210000000004e-10 3.0974770000000003e-10 3.079753e-10 3.060924e-10 3.040846e-10 3.019339e-10 2.996186e-10 2.971113e-10 2.943772e-10 2.9137110000000004e-10 2.880331e-10 2.842805e-10 2.799956e-10 2.75002e-10 2.690177e-10 2.6155020000000005e-10 2.51613e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0 2.18577e-10 0.000467397 0.0175131 0.0920425 0.23939 0.445614 0.68816 0.946636 1.20565 1.4547 1.68731 1.90072 2.09492 2.27061 2.42791 2.56585 2.68276 2.77663 2.84551 2.88773 2.90201 2.89481 2.87063 2.82484 2.75157 2.6433 2.49038 2.2802 1.99623 1.61639 1.1107 0.437691 -0.461424 -1.67276 -3.3272 -5.63414 -8.95198 -13.9552 -22.1127 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 3.5019895924460163e-29 7.488525460320576e-23 2.805907937773248e-21 1.47468341619984e-20 3.83545061253312e-20 7.139523327011713e-20 1.102553863369728e-19 1.516678067607629e-19 1.9316642428675204e-19 2.33068633027776e-19 2.703368634042048e-19 3.045289146686976e-19 3.356431846446336e-19 3.637918256954688e-19 3.8899406394065277e-19 4.1109448824796807e-19 4.2982553512174085e-19 4.448651670611905e-19 4.559009596252608e-19 4.626653493182784e-19 4.649532575327808e-19 4.637996903658048e-19 4.599256272967104e-19 4.525892605500672e-19 4.4085011244946565e-19 4.23503346176064e-19 3.9900286129079043e-19 3.65328313074816e-19 3.198313035739584e-19 2.5897422680949123e-19 1.77953757272256e-19 7.012582873345729e-20 -7.392827450760193e-20 -2.6800569642094083e-19 -5.33076205272576e-19 -9.026887386314113e-19 -1.4342653065869186e-18 -2.235869517858816e-18 -3.5428450962764164e-18 ] } }