{ "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" [ 5.45864 0 0 ] "si-unit" "m" "si-value" [ 5.45864e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.103818 5.38839 0 ] "si-unit" "m" "si-value" [ 1.03818e-11 5.388390000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.113176 0.0705962 5.39093 ] "si-unit" "m" "si-value" [ 1.13176e-11 7.05962e-12 5.39093e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000432489 -6.72518e-05 0.0122781 ] [ 1.51992 1.38746 1.2495 ] [ 0.155886 2.80678 2.64329 ] [ 1.56947 4.13166 3.92938 ] [ 2.77407 -0.0290867 2.65575 ] [ 4.2526 1.27774 3.82666 ] [ 2.78396 2.65139 -0.0871139 ] [ 4.18696 3.99308 1.34271 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.32489e-14 -6.72518e-15 1.22781e-12 ] [ 1.51992e-10 1.38746e-10 1.2495e-10 ] [ 1.55886e-11 2.80678e-10 2.64329e-10 ] [ 1.56947e-10 4.13166e-10 3.92938e-10 ] [ 2.77407e-10 -2.90867e-12 2.65575e-10 ] [ 4.2526e-10 1.27774e-10 3.82666e-10 ] [ 2.78396e-10 2.65139e-10 -8.71139e-12 ] [ 4.18696e-10 3.99308e-10 1.34271e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4889647000000001 -0.21963250000000006 -0.8871660000000002 ] [ -1.1352126000000002 -0.5408138000000001 1.0112494000000003 ] [ 0.37942350000000014 -0.9927103000000003 -0.4734828000000001 ] [ -0.7130891000000001 -0.5997940000000002 1.1520918000000002 ] [ 0.6721643000000002 0.5473042000000001 -1.1503619000000003 ] [ -0.3363766000000001 0.8982615000000003 1.4551182000000003 ] [ 0.8749068000000002 0.43032520000000013 -0.7021388000000001 ] [ -0.23078100000000004 0.4770598000000001 -0.4053099000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.834078107364859e-10 -3.518900566678561e-10 -1.421396623968653e-09 ] [ -1.818811087357582e-09 -8.664792265660072e-10 1.620200146478028e-09 ] [ 6.07903461082109e-10 -1.590497233887355e-09 -7.586030725109224e-10 ] [ -1.142494684567314e-09 -9.609759240961156e-10 1.84585454697539e-09 ] [ 1.076925926796398e-09 8.768779937056476e-10 -1.843082941639068e-09 ] [ -5.389347243041934e-10 1.43917357466474e-09 2.331356360540579e-09 ] [ 1.401755220338942e-09 6.894569747810845e-10 -1.124950369916567e-09 ] [ -3.697519227248449e-10 7.64334058283524e-10 -6.49378045958786e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -37.125636 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.948182603153083e-18 } }