{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.39854e-10 0.0 0.0 ] "source-value" [ 5.39854 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.97648e-12 5.43736e-10 0.0 ] "source-value" [ 0.0197648 5.43736 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.99081e-12 -2.13673e-11 5.1785e-10 ] "source-value" [ -0.0299081 -0.213673 5.1785 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -9.158280288809299e-10 1.349533683299392e-08 -3.906030978773899e-09 ] [ -6.769100572935739e-09 6.031330603025079e-09 -1.73899016745634e-08 ] [ -4.272890331827551e-09 3.447011863009236e-09 7.766671172356898e-09 ] [ -2.269124776453127e-09 2.533696848158031e-09 -9.610176607970871e-09 ] [ 1.845380110434438e-08 -1.892519623341641e-08 1.073293455939954e-08 ] [ 5.448397385013462e-09 -7.062532011240465e-09 -4.229495698488506e-09 ] [ 3.131367687816077e-10 -3.428665178306793e-09 8.056192178183237e-09 ] [ -9.988391548042106e-09 3.90901743599507e-09 8.579807049857002e-09 ] ] "source-value" [ [ -0.5716149 8.4231268 -2.4379528 ] [ -4.2249403 3.7644605 -10.853923 ] [ -2.6669284 2.1514556 4.8475749 ] [ -1.4162763 1.5814092 -5.9982005 ] [ 11.5179568 -11.8121785 6.6989709 ] [ 3.4006222 -4.4080858 -2.6398436 ] [ 0.1954446 -2.1400045 5.0282797 ] [ -6.2342637 2.4398168 5.3550944 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.57946e-11 -2.85755e-11 3.780800000000001e-11 ] [ 1.35651e-10 1.53389e-10 1.4884e-10 ] [ 2.92057e-13 2.68505e-10 2.57873e-10 ] [ 1.38402e-10 4.097260000000001e-10 4.02157e-10 ] [ 2.45639e-10 4.43756e-11 2.59681e-10 ] [ 4.091370000000001e-10 1.38211e-10 4.21726e-10 ] [ 2.67291e-10 2.94824e-10 -1.6912e-11 ] [ 4.08439e-10 3.99712e-10 1.2513e-10 ] ] "source-value" [ [ 0.157946 -0.285755 0.37808 ] [ 1.35651 1.53389 1.4884 ] [ 0.00292057 2.68505 2.57873 ] [ 1.38402 4.09726 4.02157 ] [ 2.45639 0.443756 2.59681 ] [ 4.09137 1.38211 4.21726 ] [ 2.67291 2.94824 -0.16912 ] [ 4.08439 3.99712 1.2513 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -4.651098542756978e-18 "source-value" -29.029874 } }