{ "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" [ 5.46402 0 0 ] "si-unit" "m" "si-value" [ 5.46402e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0122514 5.46447 0 ] "si-unit" "m" "si-value" [ 1.22514e-12 5.464470000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0384841 0.0769758 5.42124 ] "si-unit" "m" "si-value" [ -3.848410000000001e-12 7.69758e-12 5.42124e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.184284 -0.0140014 0.000758292 ] [ 1.32272 1.33713 1.35336 ] [ -0.167119 2.81332 2.70768 ] [ 1.35941 4.15239 4.11153 ] [ 2.7301 0.0328947 2.73301 ] [ 3.99842 1.37193 4.14824 ] [ 2.79546 2.80288 -0.167 ] [ 4.15007 4.1513 1.18971 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.84284e-11 -1.40014e-12 7.582920000000001e-14 ] [ 1.32272e-10 1.33713e-10 1.35336e-10 ] [ -1.67119e-11 2.81332e-10 2.70768e-10 ] [ 1.35941e-10 4.15239e-10 4.11153e-10 ] [ 2.7301e-10 3.28947e-12 2.73301e-10 ] [ 3.99842e-10 1.37193e-10 4.148240000000001e-10 ] [ 2.79546e-10 2.80288e-10 -1.67e-11 ] [ 4.150070000000001e-10 4.1513e-10 1.18971e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6089322 1.4115335 -0.6532146 ] [ 1.0247017 4.0470344 2.1039327 ] [ 1.05078 -0.9457899 0.0362835 ] [ -1.9154505 -1.3291569 -3.6099289 ] [ 0.8864646 -0.6488825 -1.9560745 ] [ 1.7397117 -1.4295768 -0.2802588 ] [ -0.7644768 -1.6883288 3.0602723 ] [ -1.4127986 0.583167 1.2989882 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.756169425302148e-10 2.261525991808239e-09 -1.046565169107656e-09 ] [ 1.641753120560078e-09 6.484063952674209e-09 3.370871811448532e-09 ] [ 1.68353516347452e-09 -1.515322478453196e-09 5.8132575899739e-11 ] [ -3.068890034683616e-09 -2.129544128099874e-09 -5.783743733981322e-09 ] [ 1.420272868988156e-09 -1.039624379711505e-09 -3.133976858263233e-09 ] [ 2.787325435636417e-09 -2.290434545468491e-09 -4.490241008328791e-10 ] [ -1.224826866195091e-09 -2.705000953869259e-09 4.903096772737438e-09 ] [ -2.263552905467912e-09 9.343365411198778e-10 2.081208541881718e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -326.99709 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.239070969839951e-17 } }