{ "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" [ [ 0.468554 0.0062453 1.779472 ] [ 0.0137549 1.819656 0.3703857 ] [ 0.6368997 2.724291 2.946976 ] [ 2.361208 0.5254432 0.0878272 ] [ 1.952332 1.317185 1.267695 ] [ 2.764287 2.133831 2.76552 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.685540000000001e-11 6.2453e-13 1.779472e-10 ] [ 1.37549e-12 1.819656e-10 3.703857e-11 ] [ 6.368997e-11 2.724291e-10 2.946976e-10 ] [ 2.361208e-10 5.254432e-11 8.782719999999999e-12 ] [ 1.952332e-10 1.317185e-10 1.267695e-10 ] [ 2.764287e-10 2.133831e-10 2.76552e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.5715194 -3.5768647 2.1096525 ] [ -2.2764531 1.6350677 -0.7085048 ] [ -1.7108711 0.0743561 -0.4623457 ] [ 6.3093423 -11.0210828 -16.6497104 ] [ -3.0725524 10.2633361 10.3810994 ] [ 4.3220537 2.6251877 5.3298091 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.722204883413644e-09 -5.730768998104805e-09 3.380035913512272e-09 ] [ -3.647279935167684e-09 2.619667242365228e-09 -1.13514982628458e-09 ] [ -2.741117677622379e-09 1.191316050338669e-10 -7.407594712674106e-10 ] [ 1.01086807256845e-08 -1.7657721198061e-08 -2.667577674597062e-08 ] [ -4.92277162146293e-09 1.644367715083265e-08 1.663235475688091e-08 ] [ 6.924693391982137e-09 4.206014358151724e-09 8.53929553334709e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.311314 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.652054622052773e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.4509723 0.0904821 2.1958805 ] [ 0.1252555 1.6806173 0.3379841 ] [ 0.5502487 2.5189607 2.618986 ] [ 2.1820971 0.3232579 0.4536396 ] [ 2.281372 2.7517347 0.8767456 ] [ 2.6070899 1.1615987 2.7346401 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.509723e-11 9.04821e-12 2.1958805e-10 ] [ 1.252555e-11 1.6806173e-10 3.379841e-11 ] [ 5.502487000000001e-11 2.5189607e-10 2.618986e-10 ] [ 2.1820971e-10 3.232579e-11 4.536396e-11 ] [ 2.281372e-10 2.7517347e-10 8.767456e-11 ] [ 2.6070899e-10 1.1615987e-10 2.7346401e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.2e-06 2.5e-06 -1.6e-06 ] [ 1.69e-05 -4.3e-06 2.61e-05 ] [ -2.2e-06 -7.6e-06 -3.9e-06 ] [ -5e-07 -5.7e-06 -1.3e-06 ] [ 7.3e-06 1e-05 -4.3e-06 ] [ -1.91e-05 5.1e-06 -1.49e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.52478856576e-15 4.005441552e-15 -2.56348259328e-15 ] [ 2.707678489152e-14 -6.889359469440001e-15 4.181680980288e-14 ] [ -3.52478856576e-15 -1.217654231808e-14 -6.24848882112e-15 ] [ -8.010883104e-16 -9.13240673856e-15 -2.08282960704e-15 ] [ 1.169588933184e-14 1.6021766208e-14 -6.889359469440001e-15 ] [ -3.060157345728e-14 8.17110076608e-15 -2.387243164992e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.568499 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.295436822274818e-18 } }