{ "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" [ [ 0.45370500000000014 -0.03812750000000001 -0.7901372000000002 ] [ -1.8881167000000005 -0.8144553000000002 1.1613968000000001 ] [ 0.6157670000000001 -1.6318044000000005 -0.32659060000000006 ] [ -1.2772265000000003 -0.9812236000000002 2.2049985000000003 ] [ 0.7537083000000002 1.1716433000000002 -1.6223660000000004 ] [ -0.06264490000000002 1.3983902000000001 2.1649281000000005 ] [ 1.7675786000000004 0.5701499000000001 -1.3719873000000002 ] [ -0.36277070000000006 0.32542750000000004 -1.4202422000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.269155437400643e-10 -6.108698910955201e-11 -1.265939349064374e-09 ] [ -3.025096434082048e-09 -1.304901240346651e-09 1.860762800431934e-09 ] [ 9.865674912601536e-10 -2.614438859398572e-09 -5.232558238930446e-10 ] [ -2.046342437766212e-09 -1.572093511697211e-09 3.532797045599069e-09 ] [ 1.207573817162913e-09 1.877179503176961e-09 -2.599316875580813e-09 ] [ -1.00368194192354e-10 2.240468085195837e-09 3.468597187532965e-09 ] [ 2.831973108346396e-09 9.134808401314581e-10 -2.198165976094516e-09 ] [ -5.812227342512507e-10 5.213923322653921e-10 -2.275478848713558e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.349858 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.823889265699985e-18 } }