{ "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" [ 5.4238 0 0 ] "si-unit" "m" "si-value" [ 5.4238e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0012341 5.50722 0 ] "si-unit" "m" "si-value" [ -1.2341e-13 5.507220000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00966142 -0.113973 5.43239 ] "si-unit" "m" "si-value" [ -9.661420000000001e-13 -1.13973e-11 5.43239e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0339885 -0.0385369 0.0299316 ] [ 1.35039 1.32575 1.36375 ] [ -0.105411 2.62445 2.64243 ] [ 1.34087 3.97443 4.1654 ] [ 2.65221 0.0889868 2.75972 ] [ 4.05512 1.26127 4.10909 ] [ 2.71709 2.70534 0.0564386 ] [ 4.05687 4.02913 1.37335 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.39885e-12 -3.85369e-12 2.99316e-12 ] [ 1.35039e-10 1.32575e-10 1.36375e-10 ] [ -1.05411e-11 2.62445e-10 2.64243e-10 ] [ 1.34087e-10 3.97443e-10 4.1654e-10 ] [ 2.652210000000001e-10 8.89868e-12 2.75972e-10 ] [ 4.05512e-10 1.26127e-10 4.10909e-10 ] [ 2.71709e-10 2.70534e-10 5.64386e-12 ] [ 4.05687e-10 4.02913e-10 1.37335e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0300524 0.2536891 0.067452 ] [ -0.5520999 -0.0956622 -0.4566817 ] [ 1.2228163 0.5358999 1.6199681 ] [ -1.0241948 -0.9320251 -0.316404 ] [ -0.0402038 -0.3721166 -0.0319831 ] [ 0.4058097 0.0077441 0.2679148 ] [ -0.4209702 0.2154233 -0.4109072 ] [ 0.3787903 0.3870474 -0.7393589 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.814925307562159e-11 4.064547483204894e-10 1.08070018316568e-10 ] [ -8.845615594137365e-10 -1.532677415970348e-10 -7.316847489153978e-10 ] [ 1.959167703534334e-09 8.586062979429365e-10 2.595475037645375e-09 ] [ -1.640940977224303e-09 -1.493268837521513e-09 -5.069350957041359e-10 ] [ -6.44135889580092e-11 -5.961965216435244e-10 -5.124257550288539e-11 ] [ 6.501788191905497e-10 1.24074160713594e-11 4.292468324627832e-10 ] [ -6.744686180503068e-10 3.451461776791722e-10 -6.583459145823647e-10 ] [ 6.068889678458502e-10 6.201183005304515e-10 -1.184583553719942e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -32.749249 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.247008152884786e-18 } }