{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.4314663 0.9036294 0.7794334 ] [ 1.004832 0.4139501 2.5602 ] [ 0.3021018 2.478458 1.913452 ] [ 2.709186 0.4632097 1.441964 ] [ 2.312911 2.26354 0.6044428 ] [ 2.800336 2.901369 2.552849 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.314663000000001e-11 9.036294e-11 7.794334000000001e-11 ] [ 1.004832e-10 4.139501e-11 2.5602e-10 ] [ 3.021018e-11 2.478458e-10 1.913452e-10 ] [ 2.709186e-10 4.632097e-11 1.441964e-10 ] [ 2.312911e-10 2.26354e-10 6.044428e-11 ] [ 2.800336e-10 2.901369e-10 2.552849e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.1577561 -4.6809416 -11.5230612 ] [ -1.9783617 -7.4274226 12.046642 ] [ -4.9225421 9.4443662 4.5034756 ] [ 9.0992139 -6.591683 -0.0018334 ] [ 4.6140515 6.6872361 -8.3818304 ] [ 1.3453945 2.568445 3.3566075 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.307016610160859e-08 -7.499695194850145e-09 -1.846197925468759e-08 ] [ -3.169684863226143e-09 -1.190004284252155e-08 1.930084817154735e-08 ] [ -7.886781867523736e-09 1.513154272391374e-08 7.215363318663252e-09 ] [ 1.457854777823839e-08 -1.056104039432481e-08 -2.93743061657472e-12 ] [ 7.392525440467172e-09 1.071413333718977e-08 -1.342917270639071e-08 ] [ 2.155559613652906e-09 4.115102530810656e-09 5.377878061701936e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -3.3703434 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.399885399547582e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.2350365 1.3608864 0.4571892 ] [ 0.8961658 0.0991078 2.4429979 ] [ 0.3686071 2.4783037 2.626551 ] [ 3.0832341 0.6149376 2.0425735 ] [ 2.4220988 1.8767865 0.0568141 ] [ 2.5556908 2.9941341 2.2262155 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.350365e-11 1.3608864e-10 4.571892e-11 ] [ 8.961658e-11 9.91078e-12 2.4429979e-10 ] [ 3.686071000000001e-11 2.4783037e-10 2.626551e-10 ] [ 3.0832341e-10 6.149376e-11 2.0425735e-10 ] [ 2.4220988e-10 1.8767865e-10 5.681410000000001e-12 ] [ 2.5556908e-10 2.9941341e-10 2.2262155e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.4e-06 2.08e-05 -2.53e-05 ] [ 2.6e-06 -3.9e-05 -1.55e-05 ] [ -8.6e-06 1.81e-05 3.96e-05 ] [ 1.11e-05 4.8e-06 2.31e-05 ] [ -2.5e-06 -2.28e-05 2e-07 ] [ 2.8e-06 1.8e-05 -2.21e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.65175375232e-15 3.332527371264e-14 -4.053506850624e-14 ] [ 4.16565921408e-15 -6.248488821120001e-14 -2.48337376224e-14 ] [ -1.377871893888e-14 2.899939683648e-14 6.344619418368e-14 ] [ 1.778416049088e-14 7.69044777984e-15 3.701027994048e-14 ] [ -4.005441552e-15 -3.652962695424e-14 3.2043532416e-16 ] [ 4.48609453824e-15 2.88391791744e-14 -3.540810331968e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.567729 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.853354495955016e-18 } }