{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.39006 0 0 ] "si-unit" "m" "si-value" [ 5.39006e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.23331 5.36322 0 ] "si-unit" "m" "si-value" [ 2.3331e-11 5.36322e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.160148 -0.0213292 5.4933 ] "si-unit" "m" "si-value" [ -1.60148e-11 -2.13292e-12 5.4933e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.105355 0.0424721 -0.0304949 ] [ 1.33629 1.36991 1.45967 ] [ -0.05353 2.71357 2.83859 ] [ 1.26119 4.17265 4.20892 ] [ 2.69817 -0.0783338 2.63037 ] [ 3.99124 1.24872 4.05842 ] [ 2.76699 2.61469 0.0747626 ] [ 4.02836 3.96527 1.47431 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.05355e-11 4.24721e-12 -3.04949e-12 ] [ 1.33629e-10 1.36991e-10 1.45967e-10 ] [ -5.353e-12 2.71357e-10 2.83859e-10 ] [ 1.26119e-10 4.17265e-10 4.20892e-10 ] [ 2.69817e-10 -7.83338e-12 2.63037e-10 ] [ 3.99124e-10 1.24872e-10 4.05842e-10 ] [ 2.76699e-10 2.61469e-10 7.47626e-12 ] [ 4.02836e-10 3.96527e-10 1.47431e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.8879337 1.8736148 3.9811324 ] [ -0.131037 0.1865863 -0.5447188 ] [ 0.9453141 -0.4593032 0.2283066 ] [ 4.1793846 -4.0418305 -3.4313616 ] [ -3.4885839 2.4283525 3.9934858 ] [ -0.7128634 1.0012151 0.7022601 ] [ -0.3230954 0.3840347 -1.1255534 ] [ 3.4188146 -1.3726698 -3.8035513 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.229156477360441e-09 3.001861828944868e-09 6.378477255589394e-09 ] [ -2.099444178597696e-10 2.989442076215751e-10 -8.72735726270231e-10 ] [ 1.514560150332593e-09 -7.358848488986266e-10 3.657874968943373e-10 ] [ 6.696112295451559e-09 -6.475726332336374e-09 -5.497647333030882e-09 ] [ -5.589327564279285e-09 3.890649602561231e-09 6.398269584256785e-09 ] [ -1.142133073303999e-09 1.604123425611934e-09 1.12514471394067e-09 ] [ -5.176558961680243e-10 6.152914179159418e-10 -1.803335342941951e-09 ] [ 5.477544822969705e-09 -2.199259461638212e-09 -6.093960968873447e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.909573 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.593130170271093e-18 } }