{ "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" [ 5.41852 0 0 ] "si-unit" "m" "si-value" [ 5.418520000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.038783 5.47951 0 ] "si-unit" "m" "si-value" [ 3.8783e-12 5.479510000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.00323821 0.0198894 5.39896 ] "si-unit" "m" "si-value" [ 3.23821e-13 1.98894e-12 5.39896e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0136142 -0.0297439 -0.141562 ] [ 1.34075 1.30471 1.3715 ] [ -0.0280615 2.73239 2.73273 ] [ 1.33689 4.08129 3.93514 ] [ 2.80172 0.157681 2.72105 ] [ 4.07194 1.39009 4.01929 ] [ 2.65272 2.79754 0.0144035 ] [ 4.02421 4.07244 1.32124 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.36142e-12 -2.97439e-12 -1.41562e-11 ] [ 1.34075e-10 1.30471e-10 1.3715e-10 ] [ -2.80615e-12 2.73239e-10 2.73273e-10 ] [ 1.33689e-10 4.08129e-10 3.93514e-10 ] [ 2.80172e-10 1.57681e-11 2.72105e-10 ] [ 4.07194e-10 1.39009e-10 4.01929e-10 ] [ 2.65272e-10 2.79754e-10 1.44035e-12 ] [ 4.02421e-10 4.072440000000001e-10 1.32124e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.0908281 -0.3818624 1.8767858 ] [ -0.5652782 1.2836325 -0.8125525 ] [ 0.0449702 -0.3860956 -1.9752245 ] [ 1.3323357 1.2740865 0.7739534 ] [ -1.8660987 -3.1635625 -1.4629802 ] [ 0.116195 1.6094061 1.7333197 ] [ -0.12871 -1.6101719 -0.5952146 ] [ 1.1574141 1.3745673 0.4619129 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.455226583316845e-10 -6.11811009642578e-10 3.006942331009424e-09 ] [ -9.056755162879065e-10 2.056605981199056e-09 -1.301852618672592e-09 ] [ 7.205020307270017e-11 -6.185933437137485e-10 -3.16465851473137e-09 ] [ 2.134637109597202e-09 2.041311603176899e-09 1.240010043068671e-09 ] [ -2.989819709245273e-09 -5.0685858759396e-09 -2.343952673133309e-09 ] [ 1.86164912453856e-10 2.578552826792907e-09 2.77708429971207e-09 ] [ -2.06216152863168e-10 -2.579779773649116e-09 -9.536389164788238e-10 ] [ 1.854381811604273e-09 2.20229959177618e-09 7.400660492259284e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.231618 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.804945129335645e-18 } }