{ "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" [ 5.50751 0 0 ] "si-unit" "m" "si-value" [ 5.50751e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0552432 5.46365 0 ] "si-unit" "m" "si-value" [ 5.52432e-12 5.46365e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.041151 -0.173599 5.4807 ] "si-unit" "m" "si-value" [ -4.115100000000001e-12 -1.73599e-11 5.4807e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0203681 -0.0104771 -0.043973 ] [ 1.36957 1.30557 1.36025 ] [ 0.0138031 2.57027 2.84477 ] [ 1.29725 4.08516 4.13225 ] [ 2.77149 -0.00701058 2.61036 ] [ 3.98017 1.30013 4.07827 ] [ 2.6961 2.74296 0.249943 ] [ 4.17055 4.00651 1.44609 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.03681e-12 -1.04771e-12 -4.3973e-12 ] [ 1.36957e-10 1.30557e-10 1.36025e-10 ] [ 1.38031e-12 2.57027e-10 2.84477e-10 ] [ 1.29725e-10 4.08516e-10 4.13225e-10 ] [ 2.77149e-10 -7.01058e-13 2.61036e-10 ] [ 3.98017e-10 1.30013e-10 4.07827e-10 ] [ 2.6961e-10 2.74296e-10 2.49943e-11 ] [ 4.170550000000001e-10 4.00651e-10 1.44609e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.0489119 1.0065008 0.8881556 ] [ -2.2806671 -0.3107597 -0.3126923 ] [ 0.3828309 -0.1140369 0.9603591 ] [ 4.2702243 -1.2650301 -1.8608315 ] [ -0.7226539 -1.9652731 1.8364874 ] [ -0.5504347 0.6926317 2.5541527 ] [ -0.329337 1.5779238 -3.3018144 ] [ 3.2789493 0.3780435 -0.7638167 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.487072039304544e-09 1.612592063862307e-09 1.42298214967625e-09 ] [ -3.654031537552541e-09 -4.978919301288498e-10 -5.009882966917181e-10 ] [ 6.133627227531905e-10 -1.827072565937946e-10 1.538664910269269e-09 ] [ 6.841653595399005e-09 -2.026801667526683e-09 -2.981380749111171e-09 ] [ -1.157819193048972e-09 -3.148714640248745e-09 2.942377200915411e-09 ] [ -8.818936148827997e-10 1.109718325707698e-09 4.092203775608011e-09 ] [ -5.276560461116579e-10 2.528112642592489e-09 -5.290089881484729e-09 ] [ 5.253455952530655e-09 6.056924623355789e-10 -1.223769269398988e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -324.86537 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.204917050097645e-17 } }