{ "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" [ [ -2.4985756 0.6030755 2.5832961 ] [ -0.1837125 0.1112667 -0.5607463 ] [ 1.0763534 -0.4744688 0.2161939 ] [ 2.9709221 -2.7906178 -2.1340979 ] [ -2.5016804 1.4010639 3.0224771 ] [ -0.8358803 1.0668081 0.7435355 ] [ -0.322375 0.4432138 -1.1519138 ] [ 2.2949481 -0.3603413 -2.7187447 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.00315944460253e-09 9.66233474637867e-10 4.138896650123328e-09 ] [ -2.94339874873725e-10 1.782689068822878e-10 -8.984146194619542e-10 ] [ 1.724508267406455e-09 -7.601828249220192e-10 3.463808149933326e-10 ] [ 4.759941970054211e-09 -4.471062633584485e-09 -3.419201790048468e-09 ] [ -4.008133882615774e-09 2.244751843320912e-09 4.842542186420081e-09 ] [ -1.33922788548091e-09 1.709215010781935e-09 1.191275204649507e-09 ] [ -5.1650169238575e-10 7.101067942263492e-10 -1.845569374742149e-09 ] [ 3.676912222062695e-09 -5.773304111251841e-10 -4.355909232151339e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.185198 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.637290209826353e-18 } }