{ "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" [ 5.33088 0 0 ] "si-unit" "m" "si-value" [ 5.33088e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0480326 5.46857 0 ] "si-unit" "m" "si-value" [ 4.80326e-12 5.46857e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.109209 0.182969 5.33745 ] "si-unit" "m" "si-value" [ -1.09209e-11 1.82969e-11 5.33745e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0970486 -0.0788825 -0.10937 ] [ 1.39157 1.38931 1.26283 ] [ -0.0444574 2.82173 2.6602 ] [ 1.24826 4.17435 3.90061 ] [ 2.67605 0.0682538 2.80056 ] [ 3.9766 1.50429 4.31462 ] [ 2.81042 2.80539 0.0255717 ] [ 4.1826 4.03217 1.44291 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.70486e-12 -7.88825e-12 -1.0937e-11 ] [ 1.39157e-10 1.38931e-10 1.26283e-10 ] [ -4.44574e-12 2.82173e-10 2.6602e-10 ] [ 1.24826e-10 4.17435e-10 3.90061e-10 ] [ 2.67605e-10 6.825380000000001e-12 2.80056e-10 ] [ 3.9766e-10 1.50429e-10 4.31462e-10 ] [ 2.81042e-10 2.80539e-10 2.55717e-12 ] [ 4.1826e-10 4.03217e-10 1.44291e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.1478743 -1.2936461 2.4641689 ] [ -0.9322736 -0.2808092 0.3417098 ] [ 1.6373616 -3.3069457 1.43195 ] [ 0.2764698 0.7173126 0.9455538 ] [ 0.9793115 0.2598607 -0.7849071 ] [ -1.2267539 1.2473731 -4.1188836 ] [ -1.1911318 -0.2087422 0.7242126 ] [ -2.690858 2.8655968 -1.0038046 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.043450650229106e-09 -2.072649554085227e-09 3.948033833809482e-09 ] [ -1.493666978415062e-09 -4.499059388522327e-10 5.474794571688131e-10 ] [ 2.623342496928854e-09 -5.298311130446773e-09 2.2942368310563e-09 ] [ 4.429534535666532e-10 1.149261486993788e-09 1.514944204549909e-09 ] [ 1.569030002707491e-09 4.163427416348837e-10 -1.257559815480701e-09 ] [ -1.965476434248372e-09 1.998512034700145e-09 -6.599179062085802e-09 ] [ -1.908403537974361e-09 -3.344418753697548e-10 1.160316505768388e-09 ] [ -4.311229813011971e-09 4.591192235425172e-09 -1.608272275221716e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.977905292303475 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.443860593159356e-18 } }