{ "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" [ 5.4484 0 0 ] "si-unit" "m" "si-value" [ 5.448400000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00476084 5.4399 0 ] "si-unit" "m" "si-value" [ 4.76084e-13 5.4399e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0697031 -0.0639637 5.39979 ] "si-unit" "m" "si-value" [ -6.970310000000001e-12 -6.39637e-12 5.39979e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00902537 -0.0303023 -0.0491559 ] [ 1.28054 1.44048 1.35481 ] [ -0.0535965 2.57981 2.82719 ] [ 1.28029 4.0563 4.12138 ] [ 2.62772 -0.0777145 2.68834 ] [ 4.08246 1.48548 4.03991 ] [ 2.84369 2.84518 0.0189163 ] [ 4.03071 4.03913 1.36727 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.02537e-13 -3.03023e-12 -4.91559e-12 ] [ 1.28054e-10 1.44048e-10 1.35481e-10 ] [ -5.35965e-12 2.57981e-10 2.82719e-10 ] [ 1.28029e-10 4.0563e-10 4.12138e-10 ] [ 2.62772e-10 -7.771450000000001e-12 2.68834e-10 ] [ 4.08246e-10 1.48548e-10 4.03991e-10 ] [ 2.84369e-10 2.84518e-10 1.89163e-12 ] [ 4.03071e-10 4.03913e-10 1.36727e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.8662765 1.2910922 1.1311919 ] [ 1.2469099 -1.0947479 -0.5792943 ] [ 0.7396775 2.7010351 -1.8287152 ] [ 0.7441132 -0.5811687 -0.8358163 ] [ 0.2690559 1.6186787 0.4221389 ] [ -1.6694376 -3.3477592 0.7312566 ] [ -2.2291883 -1.3031536 -0.1280766 ] [ 1.7651459 0.7160235 1.0873149 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.387927966883301e-09 2.068557755179655e-09 1.812369230750064e-09 ] [ 1.997769906483276e-09 -1.753979505500568e-09 -9.281317916693861e-10 ] [ 1.185094007195535e-09 4.327535324833853e-09 -2.929924763680637e-09 ] [ 1.192200782090969e-09 -9.311349115521556e-10 -1.339125346176334e-09 ] [ 4.310750762198406e-10 2.593409191093495e-09 6.763410818824625e-10 ] [ -2.674733914641038e-09 -5.363701566498533e-09 1.171602237978284e-09 ] [ -3.571553407046182e-09 -2.087882248432982e-09 -2.052013358821644e-10 ] [ 2.828075516580901e-09 1.147196121094899e-09 1.742070526580046e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.65084229230348 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.551676986914763e-18 } }