{ "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" [ [ 0.35355710000000007 -0.08446040000000002 -0.7201498000000001 ] [ -1.3360875000000003 -0.5473847000000001 0.8135500000000002 ] [ 0.35993120000000006 -1.2084234000000003 -0.3428550000000001 ] [ -0.8441151000000002 -0.6953074000000001 1.5117310000000004 ] [ 0.5920330000000001 0.7751282000000003 -1.1651893000000002 ] [ -0.10801100000000002 1.0583344000000001 1.6926741000000005 ] [ 1.1460122000000001 0.36618600000000007 -0.8601634000000002 ] [ -0.16332000000000002 0.33592730000000004 -0.9295975000000002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.664609197378477e-10 -1.353204782634163e-10 -1.153807173033796e-09 ] [ -2.140648155843121e-09 -8.770069689236218e-10 1.30345078985184e-09 ] [ 5.76673353736489e-10 -1.936107719507647e-09 -5.493142653243842e-10 ] [ -1.352421478484254e-09 -1.114005260549234e-09 2.422060065138606e-09 ] [ 9.485414313420866e-10 1.241892280162787e-09 -1.866839055266318e-09 ] [ -1.730526989892288e-10 1.695638632668396e-09 2.711962869653682e-09 ] [ 1.836113953991574e-09 5.866946480642689e-10 -1.378133689547839e-09 ] [ -2.61667485709056e-10 5.382148663484679e-10 -1.489379381254128e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -27.478924 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.402608959754002e-18 } }