{ "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" [ 5.40534 0 0 ] "si-unit" "m" "si-value" [ 5.40534e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0241155 5.39517 0 ] "si-unit" "m" "si-value" [ 2.41155e-12 5.395170000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0520891 0.00914509 5.32386 ] "si-unit" "m" "si-value" [ -5.20891e-12 9.14509e-13 5.32386e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0541257 0.0304247 -0.104173 ] [ 1.34 1.36746 1.32858 ] [ -0.0983731 2.60813 2.63031 ] [ 1.3236 4.08084 4.09012 ] [ 2.69861 0.0115312 2.71277 ] [ 4.03614 1.39677 4.05029 ] [ 2.56533 2.8449 0.01686 ] [ 4.17154 4.11014 1.29552 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.41257e-12 3.04247e-12 -1.04173e-11 ] [ 1.34e-10 1.36746e-10 1.32858e-10 ] [ -9.837310000000001e-12 2.60813e-10 2.63031e-10 ] [ 1.3236e-10 4.08084e-10 4.09012e-10 ] [ 2.69861e-10 1.15312e-12 2.71277e-10 ] [ 4.03614e-10 1.39677e-10 4.05029e-10 ] [ 2.56533e-10 2.8449e-10 1.686e-12 ] [ 4.17154e-10 4.11014e-10 1.29552e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.0757133 0.1442139 2.3991167 ] [ -0.5314185 -0.6627667 -0.3301257 ] [ 1.9447659 1.7672823 0.727412 ] [ -2.2262561 0.9213689 -4.3322968 ] [ 0.3185823 0.0018581 -0.3357431 ] [ -3.0184251 1.0179121 -0.850798 ] [ 4.0787228 -2.7168789 2.2140351 ] [ -2.6416845 -0.4729898 0.5083997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.325659348143032e-09 2.310561408780126e-10 3.843808718979187e-09 ] [ -8.51426303575329e-10 -1.061869320533288e-09 -5.289196828228938e-10 ] [ 3.11585848357998e-09 2.831498406741778e-09 1.165442509691208e-09 ] [ -3.566855504719967e-09 1.476195722874283e-09 -6.94110470451297e-09 ] [ 5.104251170659781e-10 2.9770044036354e-12 -5.379197498467254e-10 ] [ -4.836050166699113e-09 1.630874982085871e-09 -1.363128675853932e-09 ] [ 6.534834366723055e-09 -4.352919890987622e-09 3.547275304075853e-09 ] [ -4.232445180299973e-09 -7.578132056803332e-10 8.145461200726097e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.726186 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.723966043113792e-18 } }