{ "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" [ [ -3.7674197 1.7827039 4.0645769 ] [ -0.1874228 0.1255862 -0.5185421 ] [ 0.9581821 -0.4184509 0.1724947 ] [ 4.0248323 -3.9762633 -3.4288292 ] [ -3.4024363 2.5452534 3.8994395 ] [ -0.7696002 0.9964607 0.6670364 ] [ -0.2442418 0.3768527 -1.0743117 ] [ 3.3881065 -1.4321427 -3.7818645 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.03607176408135e-09 2.856206510388981e-09 6.512170082623739e-09 ] [ -3.002844283648742e-10 2.01211273535113e-10 -8.307960295205357e-10 ] [ 1.535176959089048e-09 -6.704322489327187e-10 2.763669755519098e-10 ] [ 6.448492213700692e-09 -6.370676097405056e-09 -5.493589980956367e-09 ] [ -5.451303893621256e-09 4.077945491491711e-09 6.247590801124042e-09 ] [ -1.233035447803004e-09 1.596506037086003e-09 1.068710125302597e-09 ] [ -3.913185017821095e-10 6.037845854253561e-10 -1.721237089191903e-09 ] [ 5.428345023080516e-09 -2.294545551589388e-09 -6.059214884933481e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.011731 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.60949768619386e-18 } }