{ "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" [ 5.43079 0 0 ] "si-unit" "m" "si-value" [ 5.43079e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0839771 5.43297 0 ] "si-unit" "m" "si-value" [ -8.397710000000001e-12 5.432970000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0398452 0.0785902 5.46584 ] "si-unit" "m" "si-value" [ 3.98452e-12 7.85902e-12 5.46584e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0520054 -0.0817533 0.0407426 ] [ 1.35344 1.3045 1.28849 ] [ 0.00819716 2.75378 2.6961 ] [ 1.33497 4.09637 3.90076 ] [ 2.57675 -0.0301907 2.72622 ] [ 4.09447 1.46101 4.06258 ] [ 2.65601 2.62697 -0.116016 ] [ 4.03834 4.01266 1.20961 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.20054e-12 -8.17533e-12 4.07426e-12 ] [ 1.35344e-10 1.3045e-10 1.28849e-10 ] [ 8.197160000000001e-13 2.75378e-10 2.6961e-10 ] [ 1.33497e-10 4.09637e-10 3.90076e-10 ] [ 2.57675e-10 -3.01907e-12 2.72622e-10 ] [ 4.09447e-10 1.46101e-10 4.06258e-10 ] [ 2.656010000000001e-10 2.62697e-10 -1.16016e-11 ] [ 4.03834e-10 4.012660000000001e-10 1.20961e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.569587 2.8457552 -5.983969 ] [ -1.908403 0.5661002 1.4944848 ] [ -0.6020765 -1.1101778 -3.8011264 ] [ -4.559539 -3.4832987 9.1297672 ] [ 8.5547466 4.7338737 -5.7020701 ] [ -0.4887345 -3.7170682 -0.0284289 ] [ -0.3933876 2.3665163 -0.4572232 ] [ -4.172193 -2.2017006 5.3485656 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.719108837311609e-09 4.559402449960029e-09 -9.587375231391956e-09 ] [ -3.057598669664582e-09 9.069925054702043e-10 2.394428606700964e-09 ] [ -9.646328922330914e-10 -1.778700916091178e-09 -6.090075850785669e-09 ] [ -7.305186787425812e-09 -5.580859740403034e-09 1.462749956118668e-08 ] [ 1.370621499938829e-08 7.584501767959993e-09 -9.135723404382718e-09 ] [ -7.830389896783777e-10 -5.955399767959139e-09 -4.554811893506112e-11 ] [ -6.30276415632622e-10 3.791577088602119e-09 -7.325523215273626e-10 ] [ -6.684590082065415e-09 -3.527513227321333e-09 8.569346759135124e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.498873 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.527328776454836e-18 } }