{ "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" [ [ -9.2158071 5.116671 8.8620685 ] [ 0.600979 0.0333357 -1.4198052 ] [ 0.6834145 -0.2549179 1.0455587 ] [ 9.6104245 -8.6953951 -8.0950597 ] [ -7.9739598 5.9220616 8.7598662 ] [ -0.321924 1.1024046 0.6973484 ] [ -1.3891022 0.8717818 -1.4587129 ] [ 8.0059751 -4.0959417 -8.391264 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.47653507990713e-08 8.197810720065414e-09 1.419859907960743e-08 ] [ 9.62874511324686e-10 5.34096796180338e-11 -2.274778716271697e-09 ] [ 1.094950743236793e-09 -4.084235029683485e-10 1.675169718615416e-09 ] [ 1.539759757672113e-08 -1.393155885261809e-08 -1.296971550217505e-08 ] [ -1.277569207201531e-08 9.488188720628655e-09 1.403485294260637e-08 ] [ -5.157791107238159e-10 1.766246891334116e-09 1.117275312237285e-09 ] [ -2.225587087077995e-09 1.396748429906461e-09 -2.337115724094378e-09 ] [ 1.282698623760581e-08 -6.562422085966237e-09 -1.344428711052538e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -32.930526 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.276051930252948e-18 } }